4-[(2-benzamidobenzoyl)amino]butanoic acid

C18H18N2O4 — CID 3133482

IUPAC4-[(2-benzamidobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-16(22)11-6-12-19-18(24)14-9-4-5-10-15(14)20-17(23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyHWDKBXSCKFFNOU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.53
Rot. Bonds7

About 4-[(2-benzamidobenzoyl)amino]butanoic acid

4-[(2-benzamidobenzoyl)amino]butanoic acid (PubChem CID 3133482) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-[(2-benzamidobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-benzamidobenzoyl)amino]butanoic acid
PubChem CID3133482
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-[(2-benzamidobenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-16(22)11-6-12-19-18(24)14-9-4-5-10-15(14)20-17(23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyHWDKBXSCKFFNOU-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzamidobenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-benzamidobenzoyl)amino]butanoic acid (CID 3133482) is 4-[(2-benzamidobenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-benzamidobenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-benzamidobenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 4-[(2-benzamidobenzoyl)amino]butanoic acid?
The InChIKey is HWDKBXSCKFFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16(22)11-6-12-19-18(24)14-9-4-5-10-15(14)20-17(23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 4-[(2-benzamidobenzoyl)amino]butanoic acid?
4-[(2-benzamidobenzoyl)amino]butanoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzamidobenzoyl)amino]butanoic acid is sourced from PubChem (CID 3133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).