2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide

C33H34N2O4 — CID 133236716

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-38-29-19-17-28(18-20-29)24-35(32(36)25-39-30-15-9-4-10-16-30)31(23-27-13-7-3-8-14-27)33(37)34-22-21-26-11-5-2-6-12-26/h2-20,31H,21-25H2,1H3,(H,34,37)
InChIKeyHDDNODUICCVQQE-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.07
Rot. Bonds13

About 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 133236716) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID133236716
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-38-29-19-17-28(18-20-29)24-35(32(36)25-39-30-15-9-4-10-16-30)31(23-27-13-7-3-8-14-27)33(37)34-22-21-26-11-5-2-6-12-26/h2-20,31H,21-25H2,1H3,(H,34,37)
InChIKeyHDDNODUICCVQQE-UHFFFAOYSA-N
XLogP5.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236728
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
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)-2-[benzyl-(2-phenoxyacetyl)amino]-N-methyl-3-phenylpropanamide
CID 100655342
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133213178
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214190
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
2-[benzyl-(2-phenoxyacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylpropanamide
CID 133214188
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 133236716) is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide is COc1ccc(CN(C(=O)COc2ccccc2)C(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is HDDNODUICCVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-38-29-19-17-28(18-20-29)24-35(32(36)25-39-30-15-9-4-10-16-30)31(23-27-13-7-3-8-14-27)33(37)34-22-21-26-11-5-2-6-12-26/h2-20,31H,21-25H2,1H3,(H,34,37).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide?
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 522.65 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 133236716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).