3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide

C15H24N2O2 — CID 115184886

IUPAC3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-14(2,12-6-4-3-5-7-12)9-17-13(18)15(8-16)10-19-11-15/h12H,3-7,9-11H2,1-2H3,(H,17,18)
InChIKeyDDXHTKSGHSFTGM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds4

About 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide

3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide (PubChem CID 115184886) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
PubChem CID115184886
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)COC1)C1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-14(2,12-6-4-3-5-7-12)9-17-13(18)15(8-16)10-19-11-15/h12H,3-7,9-11H2,1-2H3,(H,17,18)
InChIKeyDDXHTKSGHSFTGM-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
CID 115184749
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
N-(2-cyclobutyl-2-methylpropyl)-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182505
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide (CID 115184886) is 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide is CC(C)(CNC(=O)C1(C#N)COC1)C1CCCCC1.
What is the InChIKey of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide?
The InChIKey is DDXHTKSGHSFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,12-6-4-3-5-7-12)9-17-13(18)15(8-16)10-19-11-15/h12H,3-7,9-11H2,1-2H3,(H,17,18).
What are the key properties of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide?
3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide is sourced from PubChem (CID 115184886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).