2-[(2-benzamidobenzoyl)amino]butanoic acid

C18H18N2O4 — CID 3245012

IUPAC2-[(2-benzamidobenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H18N2O4/c1-2-14(18(23)24)19-17(22)13-10-6-7-11-15(13)20-16(21)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyFZAKTGJDHKFYOP-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.53
Rot. Bonds6

About 2-[(2-benzamidobenzoyl)amino]butanoic acid

2-[(2-benzamidobenzoyl)amino]butanoic acid (PubChem CID 3245012) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(2-benzamidobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-benzamidobenzoyl)amino]butanoic acid
PubChem CID3245012
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[(2-benzamidobenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H18N2O4/c1-2-14(18(23)24)19-17(22)13-10-6-7-11-15(13)20-16(21)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyFZAKTGJDHKFYOP-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-benzamidobenzoyl)amino]butanoic 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

CID 15649435
CID 15649435
CID 2797236
CID 2797236
CID 179574
CID 179574
CID 15649436
CID 15649436
CID 25218530
CID 25218530
CID 25218531
CID 25218531
CID 25218532
CID 25218532
CID 25218533
CID 25218533
CID 25218534
CID 25218534
CID 1841495
CID 1841495
CID 10858497
CID 10858497
CID 273128
CID 273128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidobenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(2-benzamidobenzoyl)amino]butanoic acid (CID 3245012) is 2-[(2-benzamidobenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-benzamidobenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-benzamidobenzoyl)amino]butanoic acid is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-benzamidobenzoyl)amino]butanoic acid?
The InChIKey is FZAKTGJDHKFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-14(18(23)24)19-17(22)13-10-6-7-11-15(13)20-16(21)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[(2-benzamidobenzoyl)amino]butanoic acid?
2-[(2-benzamidobenzoyl)amino]butanoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidobenzoyl)amino]butanoic acid is sourced from PubChem (CID 3245012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).