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

C33H34N2O5 — CID 133236728

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C33H34N2O5/c1-38-28-19-17-26(18-20-28)23-35(32(36)24-40-29-14-7-4-8-15-29)30(21-25-11-5-3-6-12-25)33(37)34-22-27-13-9-10-16-31(27)39-2/h3-20,30H,21-24H2,1-2H3,(H,34,37)
InChIKeyHJUDUCCNVDEBLD-UHFFFAOYSA-N
MW538.64 g/mol
LogP5.04
Rot. Bonds13

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

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide (PubChem CID 133236728) has the molecular formula C33H34N2O5 and a molecular weight of 538.64 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
PubChem CID133236728
Molecular FormulaC33H34N2O5
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C33H34N2O5/c1-38-28-19-17-26(18-20-28)23-35(32(36)24-40-29-14-7-4-8-15-29)30(21-25-11-5-3-6-12-25)33(37)34-22-27-13-9-10-16-31(27)39-2/h3-20,30H,21-24H2,1-2H3,(H,34,37)
InChIKeyHJUDUCCNVDEBLD-UHFFFAOYSA-N
XLogP5.04
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236661
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133213931
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236167
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236731
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100513841
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-methyl-3-phenylpropanamide
CID 100655342

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide (CID 133236728) is N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide is COc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide?
The InChIKey is HJUDUCCNVDEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5/c1-38-28-19-17-26(18-20-28)23-35(32(36)24-40-29-14-7-4-8-15-29)30(21-25-11-5-3-6-12-25)33(37)34-22-27-13-9-10-16-31(27)39-2/h3-20,30H,21-24H2,1-2H3,(H,34,37).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide has a molecular weight of 538.64 g/mol, XLogP of 5.04, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133236728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).