1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide

C12H20N2O2 — CID 104551892

IUPAC1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-10(8-15)14(2)11(16)12(9-13)6-4-3-5-7-12/h10,15H,3-8H2,1-2H3
InChIKeyKDTPGQJVBQIYOJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.30
Rot. Bonds3

About 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide

1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 104551892) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID104551892
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-10(8-15)14(2)11(16)12(9-13)6-4-3-5-7-12/h10,15H,3-8H2,1-2H3
InChIKeyKDTPGQJVBQIYOJ-UHFFFAOYSA-N
XLogP1.30
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide (CID 104551892) is 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide is CC(CO)N(C)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is KDTPGQJVBQIYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(8-15)14(2)11(16)12(9-13)6-4-3-5-7-12/h10,15H,3-8H2,1-2H3.
What are the key properties of 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide?
1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 104551892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).