N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide

C14H25NO2 — CID 110752395

IUPACN-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-15(11-12-7-9-17-10-8-12)14(16)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3
InChIKeyQHZHQDWZCNCREV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide

N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide (PubChem CID 110752395) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
PubChem CID110752395
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-15(11-12-7-9-17-10-8-12)14(16)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3
InChIKeyQHZHQDWZCNCREV-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81140981
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 42395113
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
2-amino-N,6-dimethyl-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707626
2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide (CID 110752395) is N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide is CN(CC1CCOCC1)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
The InChIKey is QHZHQDWZCNCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15(11-12-7-9-17-10-8-12)14(16)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide?
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 110752395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).