(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide

C12H21NO2 — CID 99775524

IUPAC(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide
SMILESCCC1(CNC(=O)[C@H]2CCCOC2)CC1
InChIInChI=1S/C12H21NO2/c1-2-12(5-6-12)9-13-11(14)10-4-3-7-15-8-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyFWHFRGIXOYIUIR-JTQLQIEISA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds4

About (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide

(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide (PubChem CID 99775524) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide
PubChem CID99775524
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide
SMILESCCC1(CNC(=O)[C@H]2CCCOC2)CC1
InChIInChI=1S/C12H21NO2/c1-2-12(5-6-12)9-13-11(14)10-4-3-7-15-8-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyFWHFRGIXOYIUIR-JTQLQIEISA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-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

1-(methoxymethyl)-N-[2-[(3S)-oxolan-3-yl]ethyl]cyclobutane-1-carboxamide
CID 95146979
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide
CID 126454699
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
CID 71986117
(3R)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586054
(3R)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586055
(3S)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586056
(3S)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586057
(3R)-N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
CID 124292019
(3S)-N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
CID 124292020
N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
CID 126786343
N-(2-fluoroethyl)oxane-3-carboxamide
CID 126989096

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide (CID 99775524) is (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide is CCC1(CNC(=O)[C@H]2CCCOC2)CC1.
What is the InChIKey of (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide?
The InChIKey is FWHFRGIXOYIUIR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-12(5-6-12)9-13-11(14)10-4-3-7-15-8-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide?
(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 99775524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).