(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide

C12H23NO2 — CID 102475439

IUPAC(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
SMILESCC[C@]1(C(=O)N(C)C)CC[C@H](C)[C@@]1(C)O
InChIInChI=1S/C12H23NO2/c1-6-12(10(14)13(4)5)8-7-9(2)11(12,3)15/h9,15H,6-8H2,1-5H3/t9-,11+,12+/m0/s1
InChIKeyFSONHSXJKFPDFR-MVWJERBFSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds2

About (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide

(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide (PubChem CID 102475439) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
PubChem CID102475439
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
SMILESCC[C@]1(C(=O)N(C)C)CC[C@H](C)[C@@]1(C)O
InChIInChI=1S/C12H23NO2/c1-6-12(10(14)13(4)5)8-7-9(2)11(12,3)15/h9,15H,6-8H2,1-5H3/t9-,11+,12+/m0/s1
InChIKeyFSONHSXJKFPDFR-MVWJERBFSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-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

(1R,2S,3R)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 25098819
1-(1-ethyl-2-methylcyclobutyl)ethanone
CID 59190029
4-ethyl-N-methyl-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 63128518
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396
2-ethyl-1-methyl-6-oxabicyclo[3.1.1]heptane-2-carboxylic acid
CID 151770706
(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 124510978
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
3-(2,2-dimethylcyclopentyl)-1,1-dimethylurea
CID 115680560
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide (CID 102475439) is (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide is CC[C@]1(C(=O)N(C)C)CC[C@H](C)[C@@]1(C)O.
What is the InChIKey of (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide?
The InChIKey is FSONHSXJKFPDFR-MVWJERBFSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-12(10(14)13(4)5)8-7-9(2)11(12,3)15/h9,15H,6-8H2,1-5H3/t9-,11+,12+/m0/s1.
What are the key properties of (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide?
(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide is sourced from PubChem (CID 102475439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).