4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid

C15H20N2O4 — CID 17149330

IUPAC4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-3-10-16-15(21)11-6-4-5-7-12(11)17-13(18)8-9-14(19)20/h4-7H,2-3,8-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyHQXQBECLAYBWRF-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.02
Rot. Bonds8

About 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid

4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid (PubChem CID 17149330) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
PubChem CID17149330
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-3-10-16-15(21)11-6-4-5-7-12(11)17-13(18)8-9-14(19)20/h4-7H,2-3,8-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyHQXQBECLAYBWRF-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.02
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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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
CID 132561549
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid (CID 17149330) is 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid is CCCCNC(=O)c1ccccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid?
The InChIKey is HQXQBECLAYBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-3-10-16-15(21)11-6-4-5-7-12(11)17-13(18)8-9-14(19)20/h4-7H,2-3,8-10H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid?
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 17149330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).