N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

C16H23NO2 — CID 82121754

IUPACN-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCC1CO
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-12(2)15(11)17-16(19)14-9-4-3-8-13(14)10-18/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyIERHHAWTYHPASK-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.04
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 82121754) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID82121754
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCC1CO
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-12(2)15(11)17-16(19)14-9-4-3-8-13(14)10-18/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyIERHHAWTYHPASK-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-butyl-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide;dodecanoic acid
CID 159336063
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82123218
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82120953
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(1S,6R)-6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7109014
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (CID 82121754) is N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCCC1CO.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is IERHHAWTYHPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-5-7-12(2)15(11)17-16(19)14-9-4-3-8-13(14)10-18/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82121754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).