N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide

C15H21NO2 — CID 71857199

IUPACN-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(O)CCCCC1
InChIInChI=1S/C15H21NO2/c1-16(12-13-8-4-2-5-9-13)14(17)15(18)10-6-3-7-11-15/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3
InChIKeyYPMGVGMNXXXVSP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds3

About N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide

N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 71857199) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID71857199
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(O)CCCCC1
InChIInChI=1S/C15H21NO2/c1-16(12-13-8-4-2-5-9-13)14(17)15(18)10-6-3-7-11-15/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3
InChIKeyYPMGVGMNXXXVSP-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1-hydroxycyclopentanecarbonyl)-methylamino]methyl]-N-methylbenzamide
CID 110907310
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 5018753
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
1-[(Z)-4-[benzyl(methyl)amino]but-2-en-2-yl]cyclohexan-1-ol
CID 101251371
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
2-[benzyl(methyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270852
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
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2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide (CID 71857199) is N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide is CN(Cc1ccccc1)C(=O)C1(O)CCCCC1.
What is the InChIKey of N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is YPMGVGMNXXXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16(12-13-8-4-2-5-9-13)14(17)15(18)10-6-3-7-11-15/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3.
What are the key properties of N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide?
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 71857199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).