Benzoic acid, p-(2-(butylamino)propionamido)-, ethyl ester

HCID 56560

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Basic information

CAS: 93142-90-6
Standard SMILES: CCCCNC(C)C(=O)Nc1ccc(C(=O)OCC)cc1
InChIKey: FRPALAJMOMSFOK-UHFFFAOYSA-N
Molecular formula: C16H24N2O3
Average molar mass: 292.37 g/mol
Monoisotopic mass: 292.17869263

Names & identifiers

Preferred name: Benzoic acid, p-(2-(butylamino)propionamido)-, ethyl ester
IUPAC: ethyl 4-[2-(butylamino)propanoylamino]benzoate

Names & synonyms

93142-90-6p-(2-(Butylamino)propionamido)benzoic acid ethyl esterBRN 2221401BENZOIC ACID, p-(2-(BUTYLAMINO)PROPIONAMIDO)-, ETHYL ESTERRefChem:327806SA-6SCHEMBL29382746DTXSID90918660ethyl 4-[(N-butylalanyl)amino]benzoate

Database identifiers

CAS: 93142-90-6
PubChem CID: 56560
DTXSID: DTXSID90918660

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 325

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