2-[benzyl(butanoyl)amino]-N-butylbutanamide

C19H30N2O2 — CID 132699427

IUPAC2-[benzyl(butanoyl)amino]-N-butylbutanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-4-7-14-20-19(23)17(6-3)21(18(22)11-5-2)15-16-12-9-8-10-13-16/h8-10,12-13,17H,4-7,11,14-15H2,1-3H3,(H,20,23)
InChIKeyVCGHGQHMDVBUTJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.51
Rot. Bonds10

About 2-[benzyl(butanoyl)amino]-N-butylbutanamide

2-[benzyl(butanoyl)amino]-N-butylbutanamide (PubChem CID 132699427) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[benzyl(butanoyl)amino]-N-butylbutanamide.

Molecular Properties

Compound Name2-[benzyl(butanoyl)amino]-N-butylbutanamide
PubChem CID132699427
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[benzyl(butanoyl)amino]-N-butylbutanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCC
InChIInChI=1S/C19H30N2O2/c1-4-7-14-20-19(23)17(6-3)21(18(22)11-5-2)15-16-12-9-8-10-13-16/h8-10,12-13,17H,4-7,11,14-15H2,1-3H3,(H,20,23)
InChIKeyVCGHGQHMDVBUTJ-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
CID 132706623
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-butylbutanamide
CID 132721966
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
N-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132716707
(2S)-2-[benzyl(4-phenoxybutanoyl)amino]-N-propylbutanamide
CID 100540964
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3-chlorophenyl)methyl]butanamide
CID 100629847
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-butylbutanamide
CID 132720002
(2S)-2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100584985
N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100741860

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(butanoyl)amino]-N-butylbutanamide?
The IUPAC name of 2-[benzyl(butanoyl)amino]-N-butylbutanamide (CID 132699427) is 2-[benzyl(butanoyl)amino]-N-butylbutanamide.
What is the SMILES notation for 2-[benzyl(butanoyl)amino]-N-butylbutanamide?
The canonical SMILES for 2-[benzyl(butanoyl)amino]-N-butylbutanamide is CCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)CCC.
What is the InChIKey of 2-[benzyl(butanoyl)amino]-N-butylbutanamide?
The InChIKey is VCGHGQHMDVBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-7-14-20-19(23)17(6-3)21(18(22)11-5-2)15-16-12-9-8-10-13-16/h8-10,12-13,17H,4-7,11,14-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[benzyl(butanoyl)amino]-N-butylbutanamide?
2-[benzyl(butanoyl)amino]-N-butylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(butanoyl)amino]-N-butylbutanamide is sourced from PubChem (CID 132699427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).