(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C15H20N2O3 — CID 95286846

IUPAC(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-12-6-4-11(5-7-12)10-17(2)15(19)13-8-9-14(18)16-13/h4-7,13H,3,8-10H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyPJVRDFSKMNDXHG-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds5

About (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 95286846) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID95286846
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-12-6-4-11(5-7-12)10-17(2)15(19)13-8-9-14(18)16-13/h4-7,13H,3,8-10H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyPJVRDFSKMNDXHG-ZDUSSCGKSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-ethoxyphenyl)methyl]-N-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)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119266748
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(2R)-N-methyl-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 99826475
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
(2R)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 9438617
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
4-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 114428373

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 95286846) is (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is CCOc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PJVRDFSKMNDXHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-12-6-4-11(5-7-12)10-17(2)15(19)13-8-9-14(18)16-13/h4-7,13H,3,8-10H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95286846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).