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

C34H36N2O4 — CID 133236661

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C34H36N2O4/c1-39-30-20-17-28(18-21-30)25-36(33(37)22-19-26-11-5-3-6-12-26)31(23-27-13-7-4-8-14-27)34(38)35-24-29-15-9-10-16-32(29)40-2/h3-18,20-21,31H,19,22-25H2,1-2H3,(H,35,38)
InChIKeyHPGHBOVMEBWDJA-UHFFFAOYSA-N
MW536.67 g/mol
LogP5.59
Rot. Bonds13

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

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (PubChem CID 133236661) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
PubChem CID133236661
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C34H36N2O4/c1-39-30-20-17-28(18-21-30)25-36(33(37)22-19-26-11-5-3-6-12-26)31(23-27-13-7-4-8-14-27)34(38)35-24-29-15-9-10-16-32(29)40-2/h3-18,20-21,31H,19,22-25H2,1-2H3,(H,35,38)
InChIKeyHPGHBOVMEBWDJA-UHFFFAOYSA-N
XLogP5.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236728
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133213931
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214992
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214854
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
N-[(4-fluorophenyl)methyl]-N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133215138
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133238619
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide (CID 133236661) is N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is COc1ccc(CN(C(=O)CCc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
The InChIKey is HPGHBOVMEBWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-39-30-20-17-28(18-21-30)25-36(33(37)22-19-26-11-5-3-6-12-26)31(23-27-13-7-4-8-14-27)34(38)35-24-29-15-9-10-16-32(29)40-2/h3-18,20-21,31H,19,22-25H2,1-2H3,(H,35,38).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide has a molecular weight of 536.67 g/mol, XLogP of 5.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133236661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).