N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide

C32H31ClN2O4 — CID 133237469

IUPACN-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C32H31ClN2O4/c1-38-28-18-15-25(19-29(28)39-2)20-30(36)35(22-24-13-16-27(33)17-14-24)31(26-11-7-4-8-12-26)32(37)34-21-23-9-5-3-6-10-23/h3-19,31H,20-22H2,1-2H3,(H,34,37)
InChIKeyQJVUVGLNCTTZMN-UHFFFAOYSA-N
MW543.06 g/mol
LogP5.99
Rot. Bonds11

About N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide

N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide (PubChem CID 133237469) has the molecular formula C32H31ClN2O4 and a molecular weight of 543.06 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
PubChem CID133237469
Molecular FormulaC32H31ClN2O4
Molecular Weight543.06 g/mol
Exact Mass542.20
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C32H31ClN2O4/c1-38-28-18-15-25(19-29(28)39-2)20-30(36)35(22-24-13-16-27(33)17-14-24)31(26-11-7-4-8-12-26)32(37)34-21-23-9-5-3-6-10-23/h3-19,31H,20-22H2,1-2H3,(H,34,37)
InChIKeyQJVUVGLNCTTZMN-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-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237484
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236927
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-butyl-2-phenylacetamide
CID 133236926
N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
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-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238575
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 133237445
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide (CID 133237469) is N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide is COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide?
The InChIKey is QJVUVGLNCTTZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN2O4/c1-38-28-18-15-25(19-29(28)39-2)20-30(36)35(22-24-13-16-27(33)17-14-24)31(26-11-7-4-8-12-26)32(37)34-21-23-9-5-3-6-10-23/h3-19,31H,20-22H2,1-2H3,(H,34,37).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide?
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-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 N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 133237469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).