(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide

C18H33NO2 — CID 59060113

IUPAC(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
SMILESCC(C)[C@@H](C(=O)C(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H33NO2/c1-12(2)15(16(20)18(3,4)5)14(17(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)/t14?,15-/m1/s1
InChIKeyLOQOYUNIAWDBCU-YSSOQSIOSA-N
MW295.47 g/mol
LogP3.95
Rot. Bonds7

About (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide

(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide (PubChem CID 59060113) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
PubChem CID59060113
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
SMILESCC(C)[C@@H](C(=O)C(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H33NO2/c1-12(2)15(16(20)18(3,4)5)14(17(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)/t14?,15-/m1/s1
InChIKeyLOQOYUNIAWDBCU-YSSOQSIOSA-N
XLogP3.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide 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

N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
CID 22972622
N-tert-butyl-2-(2-cyclopentylethyl)-3-methylbutanamide
CID 20790175
2-amino-4-cyclobutylbutanamide
CID 131227587
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylpropyl)butanediamide
CID 22972628
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
CID 142227816
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739
(4S,5S)-5-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylheptan-3-one
CID 134905198
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide?
The IUPAC name of (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide (CID 59060113) is (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide.
What is the SMILES notation for (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide?
The canonical SMILES for (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide is CC(C)[C@@H](C(=O)C(C)(C)C)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide?
The InChIKey is LOQOYUNIAWDBCU-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H33NO2/c1-12(2)15(16(20)18(3,4)5)14(17(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)/t14?,15-/m1/s1.
What are the key properties of (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide?
(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide has a molecular weight of 295.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide is sourced from PubChem (CID 59060113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).