N-(4-methylcyclohexyl)oxane-4-carboxamide

C13H23NO2 — CID 39958727

IUPACN-(4-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-12(5-3-10)14-13(15)11-6-8-16-9-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyQREYADNNSXWWAQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About N-(4-methylcyclohexyl)oxane-4-carboxamide

N-(4-methylcyclohexyl)oxane-4-carboxamide (PubChem CID 39958727) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)oxane-4-carboxamide
PubChem CID39958727
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(4-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-12(5-3-10)14-13(15)11-6-8-16-9-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyQREYADNNSXWWAQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyloxane-4-carboxamide
CID 51074436
N-Cyclohexyltetrahydro-2H-pyran-4-carboxamide
CID 60656377
(4S)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
CID 929883
N-(2-methylcyclohexyl)oxane-4-carboxamide
CID 51073130
N-(cyclopentylmethyl)oxane-4-carboxamide
CID 53512699
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
N-(2,6-dimethylcyclohexyl)-2-(oxan-3-yl)acetamide
CID 121519285
3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
CID 134859262
4-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
CID 115439131
N-(1-fluoropropan-2-yl)oxane-4-carboxamide
CID 130679440
N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 56784532

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)oxane-4-carboxamide (CID 39958727) is N-(4-methylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)oxane-4-carboxamide is CC1CCC(NC(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)oxane-4-carboxamide?
The InChIKey is QREYADNNSXWWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-2-4-12(5-3-10)14-13(15)11-6-8-16-9-7-11/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)oxane-4-carboxamide?
N-(4-methylcyclohexyl)oxane-4-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 39958727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).