2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide

C23H30N2O2 — CID 132701689

IUPAC2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-3-4-17-24-23(27)19(2)25(18-21-13-9-6-10-14-21)22(26)16-15-20-11-7-5-8-12-20/h5-14,19H,3-4,15-18H2,1-2H3,(H,24,27)
InChIKeyVCQFLHLLBSYVGU-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.95
Rot. Bonds10

About 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide

2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide (PubChem CID 132701689) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide.

Molecular Properties

Compound Name2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
PubChem CID132701689
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C23H30N2O2/c1-3-4-17-24-23(27)19(2)25(18-21-13-9-6-10-14-21)22(26)16-15-20-11-7-5-8-12-20/h5-14,19H,3-4,15-18H2,1-2H3,(H,24,27)
InChIKeyVCQFLHLLBSYVGU-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.95
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-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
2-[benzyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-butylpropanamide
CID 132709800
2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
CID 132706623
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706662
(2S)-2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-butyl-3-phenylpropanamide
CID 100584559
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148986
N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
CID 132713177
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide?
The IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide (CID 132701689) is 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide.
What is the SMILES notation for 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide?
The canonical SMILES for 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide is CCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide?
The InChIKey is VCQFLHLLBSYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-4-17-24-23(27)19(2)25(18-21-13-9-6-10-14-21)22(26)16-15-20-11-7-5-8-12-20/h5-14,19H,3-4,15-18H2,1-2H3,(H,24,27).
What are the key properties of 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide?
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide has a molecular weight of 366.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide is sourced from PubChem (CID 132701689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).