2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide

C27H30N2O2 — CID 133148986

IUPAC2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-21-13-15-24(16-14-21)19-28-27(31)22(2)29(20-25-11-7-4-8-12-25)26(30)18-17-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3,(H,28,31)
InChIKeyILIUJGNIGOXHPC-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.66
Rot. Bonds9

About 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide

2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 133148986) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID133148986
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-21-13-15-24(16-14-21)19-28-27(31)22(2)29(20-25-11-7-4-8-12-25)26(30)18-17-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3,(H,28,31)
InChIKeyILIUJGNIGOXHPC-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148959
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460
N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
CID 132713177
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide (CID 133148986) is 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ILIUJGNIGOXHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-21-13-15-24(16-14-21)19-28-27(31)22(2)29(20-25-11-7-4-8-12-25)26(30)18-17-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3,(H,28,31).
What are the key properties of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 414.55 g/mol, XLogP of 4.66, 9 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 133148986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).