N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide

C16H29NO2 — CID 115151025

IUPACN-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C16H29NO2/c1-17(12-14-4-2-3-5-14)16(19)15-8-6-13(7-9-15)10-11-18/h13-15,18H,2-12H2,1H3
InChIKeyDUYIBBUFYIXFNI-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.82
Rot. Bonds5

About N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide

N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115151025) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115151025
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C16H29NO2/c1-17(12-14-4-2-3-5-14)16(19)15-8-6-13(7-9-15)10-11-18/h13-15,18H,2-12H2,1H3
InChIKeyDUYIBBUFYIXFNI-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
CID 22310808
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115151536
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426
4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
CID 115151311
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide (CID 115151025) is N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide is CN(CC1CCCC1)C(=O)C1CCC(CCO)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is DUYIBBUFYIXFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-17(12-14-4-2-3-5-14)16(19)15-8-6-13(7-9-15)10-11-18/h13-15,18H,2-12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide?
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).