N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

C17H23NO2 — CID 102634188

IUPACN-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CC1)C1CCCCC1O
InChIInChI=1S/C17H23NO2/c1-18(14-9-5-6-10-15(14)19)16(20)17(11-12-17)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3
InChIKeyWBBMVJXVBOMKGE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 102634188) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID102634188
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccccc2)CC1)C1CCCCC1O
InChIInChI=1S/C17H23NO2/c1-18(14-9-5-6-10-15(14)19)16(20)17(11-12-17)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3
InChIKeyWBBMVJXVBOMKGE-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-1-phenylcyclopropane-1-carboxamide
CID 3231412
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
cyclopentyl-(1-phenylcyclopropyl)methanone
CID 63080026
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 102632131

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 102634188) is N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is CN(C(=O)C1(c2ccccc2)CC1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WBBMVJXVBOMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(14-9-5-6-10-15(14)19)16(20)17(11-12-17)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102634188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).