2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide

C12H20N2O2 — CID 64910829

IUPAC2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC1CCCCC1O
InChIInChI=1S/C12H20N2O2/c1-12(2,8-13)11(16)14-7-9-5-3-4-6-10(9)15/h9-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyCWHMBHKYWAFQMT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds3

About 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide

2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 64910829) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID64910829
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC1CCCCC1O
InChIInChI=1S/C12H20N2O2/c1-12(2,8-13)11(16)14-7-9-5-3-4-6-10(9)15/h9-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyCWHMBHKYWAFQMT-UHFFFAOYSA-N
XLogP1.20
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 64910829) is 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide is CC(C)(C#N)C(=O)NCC1CCCCC1O.
What is the InChIKey of 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is CWHMBHKYWAFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,8-13)11(16)14-7-9-5-3-4-6-10(9)15/h9-10,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide?
2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 224.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 64910829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).