2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C31H31N3O2 — CID 133214149

IUPAC2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(NCc1ccncc1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C31H31N3O2/c35-30(17-16-25-10-4-1-5-11-25)34(24-28-14-8-3-9-15-28)29(22-26-12-6-2-7-13-26)31(36)33-23-27-18-20-32-21-19-27/h1-15,18-21,29H,16-17,22-24H2,(H,33,36)
InChIKeySRFZMXLBMFMKIH-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.97
Rot. Bonds11

About 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 133214149) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID133214149
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC Name2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(NCc1ccncc1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C31H31N3O2/c35-30(17-16-25-10-4-1-5-11-25)34(24-28-14-8-3-9-15-28)29(22-26-12-6-2-7-13-26)31(36)33-23-27-18-20-32-21-19-27/h1-15,18-21,29H,16-17,22-24H2,(H,33,36)
InChIKeySRFZMXLBMFMKIH-UHFFFAOYSA-N
XLogP4.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 125047305
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
(2R)-2-[benzyl(3-phenylpropanoyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571887
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236661
2-[benzyl-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213949
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 133214149) is 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is O=C(NCc1ccncc1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SRFZMXLBMFMKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2/c35-30(17-16-25-10-4-1-5-11-25)34(24-28-14-8-3-9-15-28)29(22-26-12-6-2-7-13-26)31(36)33-23-27-18-20-32-21-19-27/h1-15,18-21,29H,16-17,22-24H2,(H,33,36).
What are the key properties of 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 477.61 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 133214149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).