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

C16H22N2O2 — CID 67460663

IUPAC(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-4-18-14(7-8-15(18)19)16(20)17-10-13-6-5-11(2)9-12(13)3/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyHRJLYXRLJGBNTI-AWEZNQCLSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds4

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

(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67460663) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67460663
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-4-18-14(7-8-15(18)19)16(20)17-10-13-6-5-11(2)9-12(13)3/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyHRJLYXRLJGBNTI-AWEZNQCLSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67460663) is (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(C)cc1C.
What is the InChIKey of (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HRJLYXRLJGBNTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-18-14(7-8-15(18)19)16(20)17-10-13-6-5-11(2)9-12(13)3/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67460663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).