N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

C12H21NO2 — CID 43573246

IUPACN-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(2)13(8-9-14)12(15)11-6-4-3-5-7-11/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyWBJFOSBTQSNERZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds4

About N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 43573246) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID43573246
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(2)13(8-9-14)12(15)11-6-4-3-5-7-11/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyWBJFOSBTQSNERZ-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-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)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 95220593
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
(1S,6R)-6-[2-hydroxyethyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962022
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
(1S)-N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 96539457
N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 91453163
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
N-(2-hydroxyethyl)-5-methyl-N-propan-2-yloxolane-3-carboxamide
CID 114826169
(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
CID 95330405
6-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54916898

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (CID 43573246) is N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is CC(C)N(CCO)C(=O)C1CC=CCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is WBJFOSBTQSNERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)13(8-9-14)12(15)11-6-4-3-5-7-11/h3-4,10-11,14H,5-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43573246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).