3-[[butyl(phenyl)carbamoyl]amino]butanoic acid

C15H22N2O3 — CID 64585223

IUPAC3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCCCCN(C(=O)NC(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-17(13-8-6-5-7-9-13)15(20)16-12(2)11-14(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPDVWFUSKTALOIC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds7

About 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid

3-[[butyl(phenyl)carbamoyl]amino]butanoic acid (PubChem CID 64585223) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
PubChem CID64585223
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCCCCN(C(=O)NC(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-4-10-17(13-8-6-5-7-9-13)15(20)16-12(2)11-14(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPDVWFUSKTALOIC-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840212
3-[N-(1-cyclopropylpropan-2-ylcarbamoyl)anilino]propanoic acid
CID 63996741
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-butyl-N-phenylprop-2-enamide
CID 43619884
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid (CID 64585223) is 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid is CCCCN(C(=O)NC(C)CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid?
The InChIKey is PDVWFUSKTALOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-10-17(13-8-6-5-7-9-13)15(20)16-12(2)11-14(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid?
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(phenyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 64585223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).