2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

C15H26N2O2 — CID 46903032

IUPAC2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C(=O)N(C2CCCCC2)CC1(C)C
InChIInChI=1S/C15H26N2O2/c1-15(2)10-17(11-7-5-4-6-8-11)14(19)12(15)9-13(18)16-3/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyBYIFUEFFBVEESK-GFCCVEGCSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds3

About 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46903032) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46903032
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C(=O)N(C2CCCCC2)CC1(C)C
InChIInChI=1S/C15H26N2O2/c1-15(2)10-17(11-7-5-4-6-8-11)14(19)12(15)9-13(18)16-3/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyBYIFUEFFBVEESK-GFCCVEGCSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide 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 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46903032) is 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is CNC(=O)C[C@@H]1C(=O)N(C2CCCCC2)CC1(C)C.
What is the InChIKey of 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is BYIFUEFFBVEESK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2)10-17(11-7-5-4-6-8-11)14(19)12(15)9-13(18)16-3/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 266.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46903032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).