N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide

C33H34N2O4 — CID 133238791

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-38-29-17-13-25(14-18-29)21-22-34-33(37)32(28-11-7-4-8-12-28)35(24-27-15-19-30(39-2)20-16-27)31(36)23-26-9-5-3-6-10-26/h3-20,32H,21-24H2,1-2H3,(H,34,37)
InChIKeyUUYVWOFVSFEBQU-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.38
Rot. Bonds12

About N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide (PubChem CID 133238791) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
PubChem CID133238791
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-38-29-17-13-25(14-18-29)21-22-34-33(37)32(28-11-7-4-8-12-28)35(24-27-15-19-30(39-2)20-16-27)31(36)23-26-9-5-3-6-10-26/h3-20,32H,21-24H2,1-2H3,(H,34,37)
InChIKeyUUYVWOFVSFEBQU-UHFFFAOYSA-N
XLogP5.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 86810141
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide (CID 133238791) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide is COc1ccc(CCNC(=O)C(c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The InChIKey is UUYVWOFVSFEBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-38-29-17-13-25(14-18-29)21-22-34-33(37)32(28-11-7-4-8-12-28)35(24-27-15-19-30(39-2)20-16-27)31(36)23-26-9-5-3-6-10-26/h3-20,32H,21-24H2,1-2H3,(H,34,37).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide has a molecular weight of 522.65 g/mol, XLogP of 5.38, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133238791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).