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

C18H26N2O5 — CID 110087703

IUPAC(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H26N2O5/c1-5-20-16(22)11-13(18(23)19(2)8-9-21)17(20)12-6-7-14(24-3)15(10-12)25-4/h6-7,10,13,17,21H,5,8-9,11H2,1-4H3/t13-,17+/m1/s1
InChIKeyYCUIEZNODQMLTH-DYVFJYSZSA-N
MW350.42 g/mol
LogP1.06
Rot. Bonds7

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

(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087703) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID110087703
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H26N2O5/c1-5-20-16(22)11-13(18(23)19(2)8-9-21)17(20)12-6-7-14(24-3)15(10-12)25-4/h6-7,10,13,17,21H,5,8-9,11H2,1-4H3/t13-,17+/m1/s1
InChIKeyYCUIEZNODQMLTH-DYVFJYSZSA-N
XLogP1.06
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 110087703) is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)N(C)CCO)[C@@H]1c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCUIEZNODQMLTH-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-5-20-16(22)11-13(18(23)19(2)8-9-21)17(20)12-6-7-14(24-3)15(10-12)25-4/h6-7,10,13,17,21H,5,8-9,11H2,1-4H3/t13-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).