(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C23H28N2O4 — CID 92734417

IUPAC(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-23(22(27)24-16-17-7-5-4-6-8-17)13-11-21(26)25(23)14-12-18-9-10-19(28-2)15-20(18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyYBZYLUGRHFQHES-HSZRJFAPSA-N
MW396.49 g/mol
LogP2.94
Rot. Bonds8

About (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92734417) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92734417
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-23(22(27)24-16-17-7-5-4-6-8-17)13-11-21(26)25(23)14-12-18-9-10-19(28-2)15-20(18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/t23-/m1/s1
InChIKeyYBZYLUGRHFQHES-HSZRJFAPSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92734417) is (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YBZYLUGRHFQHES-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(22(27)24-16-17-7-5-4-6-8-17)13-11-21(26)25(23)14-12-18-9-10-19(28-2)15-20(18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92734417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).