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

C15H24N2O2 — CID 63013995

IUPACN-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)C2CCCOC2)CC1
InChIInChI=1S/C15H24N2O2/c1-2-12-5-7-15(11-16,8-6-12)17-14(18)13-4-3-9-19-10-13/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyLDDMODYXTKJVRB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds3

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

N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide (PubChem CID 63013995) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide
PubChem CID63013995
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)C2CCCOC2)CC1
InChIInChI=1S/C15H24N2O2/c1-2-12-5-7-15(11-16,8-6-12)17-14(18)13-4-3-9-19-10-13/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyLDDMODYXTKJVRB-UHFFFAOYSA-N
XLogP2.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
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-ethylcyclohexyl)oxane-3-carboxamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide (CID 63013995) is N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide is CCC1CCC(C#N)(NC(=O)C2CCCOC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide?
The InChIKey is LDDMODYXTKJVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-12-5-7-15(11-16,8-6-12)17-14(18)13-4-3-9-19-10-13/h12-13H,2-10H2,1H3,(H,17,18).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide?
N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)oxane-3-carboxamide is sourced from PubChem (CID 63013995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).