2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid

C15H20N2O4 — CID 79813329

IUPAC2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-15(5-2,14(20)21)17-13(19)11-7-6-8-12(9-11)16-10(3)18/h6-9H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCJSHKRWLUNDUFB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.02
Rot. Bonds6

About 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid

2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid (PubChem CID 79813329) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid
PubChem CID79813329
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-15(5-2,14(20)21)17-13(19)11-7-6-8-12(9-11)16-10(3)18/h6-9H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCJSHKRWLUNDUFB-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic 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

3-acetamido-N-ethylbenzamide
CID 17230670
3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367751
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
2-ethyl-2-[(3-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 79804133
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid (CID 79813329) is 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1cccc(NC(C)=O)c1)C(=O)O.
What is the InChIKey of 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid?
The InChIKey is CJSHKRWLUNDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-15(5-2,14(20)21)17-13(19)11-7-6-8-12(9-11)16-10(3)18/h6-9H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid?
2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79813329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).