2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide

C33H34N2O3 — CID 133214141

IUPAC2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2ccccc2)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C33H34N2O3/c1-38-30-20-17-28(18-21-30)24-34-33(37)31(23-27-13-7-3-8-14-27)35(25-29-15-9-4-10-16-29)32(36)22-19-26-11-5-2-6-12-26/h2-18,20-21,31H,19,22-25H2,1H3,(H,34,37)
InChIKeyMUXMYDIIZXDYDD-UHFFFAOYSA-N
MW506.65 g/mol
LogP5.58
Rot. Bonds12

About 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide

2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 133214141) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID133214141
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2ccccc2)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C33H34N2O3/c1-38-30-20-17-28(18-21-30)24-34-33(37)31(23-27-13-7-3-8-14-27)35(25-29-15-9-4-10-16-29)32(36)22-19-26-11-5-2-6-12-26/h2-18,20-21,31H,19,22-25H2,1H3,(H,34,37)
InChIKeyMUXMYDIIZXDYDD-UHFFFAOYSA-N
XLogP5.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236661
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214854
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214149
(2R)-N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 125047036
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 133236325
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
N-butyl-2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236299
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178
N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133236541

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide (CID 133214141) is 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide is COc1ccc(CNC(=O)C(Cc2ccccc2)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is MUXMYDIIZXDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c1-38-30-20-17-28(18-21-30)24-34-33(37)31(23-27-13-7-3-8-14-27)35(25-29-15-9-4-10-16-29)32(36)22-19-26-11-5-2-6-12-26/h2-18,20-21,31H,19,22-25H2,1H3,(H,34,37).
What are the key properties of 2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 506.65 g/mol, XLogP of 5.58, 12 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]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 133214141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).