N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide

C15H24N2O2 — CID 65156261

IUPACN-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESCC1CCC(C#N)(NC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C15H24N2O2/c1-12-6-8-15(11-16,9-7-12)17-14(18)5-4-13-3-2-10-19-13/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyVGZUXVYDUHMYNU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds4

About N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide

N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide (PubChem CID 65156261) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
PubChem CID65156261
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESCC1CCC(C#N)(NC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C15H24N2O2/c1-12-6-8-15(11-16,9-7-12)17-14(18)5-4-13-3-2-10-19-13/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyVGZUXVYDUHMYNU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-3-(oxan-2-yl)propanamide
CID 114304322
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
CID 62366218
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80501458
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
CID 55260135
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide (CID 65156261) is N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide is CC1CCC(C#N)(NC(=O)CCC2CCCO2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is VGZUXVYDUHMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-6-8-15(11-16,9-7-12)17-14(18)5-4-13-3-2-10-19-13/h12-13H,2-10H2,1H3,(H,17,18).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide?
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.53, 4 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)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65156261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).