N-(2-cyclohexylethyl)-2-methylprop-2-enamide

C12H21NO — CID 23044860

IUPACN-(2-cyclohexylethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyREDFMYGTFWTKEO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyclohexylethyl)-2-methylprop-2-enamide

N-(2-cyclohexylethyl)-2-methylprop-2-enamide (PubChem CID 23044860) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-methylprop-2-enamide
PubChem CID23044860
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-cyclohexylethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyREDFMYGTFWTKEO-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991351
N-(2-cyclohexylethyl)prop-1-en-2-amine
CID 143355441
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
4-(3-cyclopentylpropylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114136263
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994237
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-methylprop-2-enamide (CID 23044860) is N-(2-cyclohexylethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-methylprop-2-enamide?
The InChIKey is REDFMYGTFWTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,13,14).
What are the key properties of N-(2-cyclohexylethyl)-2-methylprop-2-enamide?
N-(2-cyclohexylethyl)-2-methylprop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 23044860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).