2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid

C21H24N2O5 — CID 119113379

IUPAC2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-2-28-17-12-7-6-11-16(17)20(25)22-14-8-13-18(24)23-19(21(26)27)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyAVTSKVOUTRREGR-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.54
Rot. Bonds10

About 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid

2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid (PubChem CID 119113379) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
PubChem CID119113379
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-2-28-17-12-7-6-11-16(17)20(25)22-14-8-13-18(24)23-19(21(26)27)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyAVTSKVOUTRREGR-UHFFFAOYSA-N
XLogP2.54
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid (CID 119113379) is 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid is CCOc1ccccc1C(=O)NCCCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid?
The InChIKey is AVTSKVOUTRREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-2-28-17-12-7-6-11-16(17)20(25)22-14-8-13-18(24)23-19(21(26)27)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid?
2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119113379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).