N-(oxan-4-yl)cyclohexanecarboxamide

C12H21NO2 — CID 91798404

IUPACN-(oxan-4-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCOCC1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-4-2-1-3-5-10)13-11-6-8-15-9-7-11/h10-11H,1-9H2,(H,13,14)
InChIKeyYTVOJHVCJHKGEE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About N-(oxan-4-yl)cyclohexanecarboxamide

N-(oxan-4-yl)cyclohexanecarboxamide (PubChem CID 91798404) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(oxan-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)cyclohexanecarboxamide
PubChem CID91798404
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(oxan-4-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCOCC1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-4-2-1-3-5-10)13-11-6-8-15-9-7-11/h10-11H,1-9H2,(H,13,14)
InChIKeyYTVOJHVCJHKGEE-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(oxan-4-yl)cyclohexanecarboxamide (CID 91798404) is N-(oxan-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(oxan-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(oxan-4-yl)cyclohexanecarboxamide is O=C(NC1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(oxan-4-yl)cyclohexanecarboxamide?
The InChIKey is YTVOJHVCJHKGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(10-4-2-1-3-5-10)13-11-6-8-15-9-7-11/h10-11H,1-9H2,(H,13,14).
What are the key properties of N-(oxan-4-yl)cyclohexanecarboxamide?
N-(oxan-4-yl)cyclohexanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 91798404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).