N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide

C14H22N2O2 — CID 55151061

IUPACN-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
SMILESCC1CCC(C#N)(NC(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-14(10-15,7-5-11)16-13(17)12-3-2-8-18-9-12/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyNOIRFQODAWIUOY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide

N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide (PubChem CID 55151061) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
PubChem CID55151061
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
SMILESCC1CCC(C#N)(NC(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-14(10-15,7-5-11)16-13(17)12-3-2-8-18-9-12/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyNOIRFQODAWIUOY-UHFFFAOYSA-N
XLogP2.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide (CID 55151061) is N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide is CC1CCC(C#N)(NC(=O)C2CCCOC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide?
The InChIKey is NOIRFQODAWIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-6-14(10-15,7-5-11)16-13(17)12-3-2-8-18-9-12/h11-12H,2-9H2,1H3,(H,16,17).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide?
N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide is sourced from PubChem (CID 55151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).