N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide

C12H21NO2 — CID 79290569

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-12(2,15)9-13(3)11(14)10-7-5-4-6-8-10/h4-5,10,15H,6-9H2,1-3H3
InChIKeyKFWZDSSQJSEUAE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.57
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 79290569) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID79290569
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-12(2,15)9-13(3)11(14)10-7-5-4-6-8-10/h4-5,10,15H,6-9H2,1-3H3
InChIKeyKFWZDSSQJSEUAE-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047532
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047271
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
N-[(5-bromothiophen-3-yl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54984169
N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 86911262
2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
CID 61021350
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide (CID 79290569) is N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide is CN(CC(C)(C)O)C(=O)C1CC=CCC1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is KFWZDSSQJSEUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,15)9-13(3)11(14)10-7-5-4-6-8-10/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 79290569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).