2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide

C32H31ClN2O4 — CID 133238865

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C32H31ClN2O4/c1-38-28-18-14-24(15-19-28)22-35(30(36)20-23-12-16-27(33)17-13-23)31(25-8-4-3-5-9-25)32(37)34-21-26-10-6-7-11-29(26)39-2/h3-19,31H,20-22H2,1-2H3,(H,34,37)
InChIKeyGKICFEXLNGVBJB-UHFFFAOYSA-N
MW543.06 g/mol
LogP5.99
Rot. Bonds11

About 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 133238865) has the molecular formula C32H31ClN2O4 and a molecular weight of 543.06 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
PubChem CID133238865
Molecular FormulaC32H31ClN2O4
Molecular Weight543.06 g/mol
Exact Mass542.20
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C32H31ClN2O4/c1-38-28-18-14-24(15-19-28)22-35(30(36)20-23-12-16-27(33)17-13-23)31(25-8-4-3-5-9-25)32(37)34-21-26-10-6-7-11-29(26)39-2/h3-19,31H,20-22H2,1-2H3,(H,34,37)
InChIKeyGKICFEXLNGVBJB-UHFFFAOYSA-N
XLogP5.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.06
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237390

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide (CID 133238865) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide is COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is GKICFEXLNGVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN2O4/c1-38-28-18-14-24(15-19-28)22-35(30(36)20-23-12-16-27(33)17-13-23)31(25-8-4-3-5-9-25)32(37)34-21-26-10-6-7-11-29(26)39-2/h3-19,31H,20-22H2,1-2H3,(H,34,37).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 543.06 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 133238865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).