(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H22N2O4 — CID 6502025

IUPAC(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O4/c1-5-18-14(19)9-12(16(20)17-2)15(18)11-7-6-10(21-3)8-13(11)22-4/h6-8,12,15H,5,9H2,1-4H3,(H,17,20)/t12-,15+/m1/s1
InChIKeySNPVIQKGQCLQJF-DOMZBBRYSA-N
MW306.36 g/mol
LogP1.36
Rot. Bonds5

About (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide

(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 6502025) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID6502025
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O4/c1-5-18-14(19)9-12(16(20)17-2)15(18)11-7-6-10(21-3)8-13(11)22-4/h6-8,12,15H,5,9H2,1-4H3,(H,17,20)/t12-,15+/m1/s1
InChIKeySNPVIQKGQCLQJF-DOMZBBRYSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 6502025) is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SNPVIQKGQCLQJF-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-18-14(19)9-12(16(20)17-2)15(18)11-7-6-10(21-3)8-13(11)22-4/h6-8,12,15H,5,9H2,1-4H3,(H,17,20)/t12-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6502025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).