N-(2-methylcyclohexyl)oxane-4-carboxamide

C13H23NO2 — CID 51073130

IUPACN-(2-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-5-12(10)14-13(15)11-6-8-16-9-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyQVDCHSZTIPFJNY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About N-(2-methylcyclohexyl)oxane-4-carboxamide

N-(2-methylcyclohexyl)oxane-4-carboxamide (PubChem CID 51073130) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)oxane-4-carboxamide
PubChem CID51073130
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(2-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10-4-2-3-5-12(10)14-13(15)11-6-8-16-9-7-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyQVDCHSZTIPFJNY-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)oxane-4-carboxamide (CID 51073130) is N-(2-methylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)oxane-4-carboxamide is CC1CCCCC1NC(=O)C1CCOCC1.
What is the InChIKey of N-(2-methylcyclohexyl)oxane-4-carboxamide?
The InChIKey is QVDCHSZTIPFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-4-2-3-5-12(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-(2-methylcyclohexyl)oxane-4-carboxamide?
N-(2-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-(2-methylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 51073130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).