gepinacin

CHEBI:82641 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 3-isobutoxyphenoxyacetic acid with the amino group of 4-methoxyaniline. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:29347 CHEBI:29347
CHEBI:35618 CHEBI:35618
CHEBI:62733 CHEBI:62733

Chemical structure

Computed structure properties
Molecular formula	C19H23NO4
Charge	0
Average mass	329.396 Da
Monoisotopic mass	329.16271 Da
Source	ChEBI
InChIKey	JNQHDEHVHXLCAL-UHFFFAOYSA-N

SMILES

COc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1

InChI

InChI=1S/C19H23NO4/c1-14(2)12-23-17-5-4-6-18(11-17)24-13-19(21)20-15-7-9-16(22-3)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,20,21)

Also called

2-(3-isobutoxyphenoxy)-N-(4-methoxyphenyl)acetamide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

patent:WO2013192517

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:82641`	gepinacin	`antibioticmech:chebi-f518b3b1c5`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.