(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C23H27ClN2O4 — CID 92656011

IUPAC(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C23H27ClN2O4/c1-23(12-10-21(27)26(23)15-17-6-4-5-7-18(17)24)22(28)25-13-11-16-8-9-19(29-2)20(14-16)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyMDECYUDCGALFCR-QHCPKHFHSA-N
MW430.93 g/mol
LogP3.60
Rot. Bonds8

About (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92656011) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92656011
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C23H27ClN2O4/c1-23(12-10-21(27)26(23)15-17-6-4-5-7-18(17)24)22(28)25-13-11-16-8-9-19(29-2)20(14-16)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyMDECYUDCGALFCR-QHCPKHFHSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92696010
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
(2R)-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731014
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26515600
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
2-[2-(2-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111044372
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979744
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92656011) is (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(CCNC(=O)[C@]2(C)CCC(=O)N2Cc2ccccc2Cl)cc1OC.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MDECYUDCGALFCR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-23(12-10-21(27)26(23)15-17-6-4-5-7-18(17)24)22(28)25-13-11-16-8-9-19(29-2)20(14-16)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).