N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide

C13H22N2O — CID 55220083

IUPACN-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)CC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-11(8-9-14)15(2)13(16)10-12-6-4-3-5-7-12/h11-12H,3-8,10H2,1-2H3
InChIKeyLHBRVDSZXFEWKS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide

N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide (PubChem CID 55220083) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
PubChem CID55220083
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
SMILESCC(CC#N)N(C)C(=O)CC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-11(8-9-14)15(2)13(16)10-12-6-4-3-5-7-12/h11-12H,3-8,10H2,1-2H3
InChIKeyLHBRVDSZXFEWKS-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide
CID 63224848
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435
N-[(2R)-1-cyanopropan-2-yl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 95345784
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 63224530
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide (CID 55220083) is N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide is CC(CC#N)N(C)C(=O)CC1CCCCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide?
The InChIKey is LHBRVDSZXFEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(8-9-14)15(2)13(16)10-12-6-4-3-5-7-12/h11-12H,3-8,10H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide?
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 222.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 55220083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).