N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide

C12H20N2O2 — CID 144825478

IUPACN-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)(O)C(C#N)NC(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-12(2,16)10(8-13)14-11(15)9-6-4-3-5-7-9/h9-10,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyUDNGCCVPLYADLH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.35
Rot. Bonds3

About N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide

N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide (PubChem CID 144825478) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
PubChem CID144825478
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)(O)C(C#N)NC(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-12(2,16)10(8-13)14-11(15)9-6-4-3-5-7-9/h9-10,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyUDNGCCVPLYADLH-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide
CID 131084572
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
CID 144828396
ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate
CID 59865134
N-cyanocyclooctanecarboxamide
CID 79194342
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentan-2-yl]cyclohexanecarboxamide
CID 60554304
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide?
The IUPAC name of N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide (CID 144825478) is N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide is CC(C)(O)C(C#N)NC(=O)C1CCCCC1.
What is the InChIKey of N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide?
The InChIKey is UDNGCCVPLYADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,16)10(8-13)14-11(15)9-6-4-3-5-7-9/h9-10,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide?
N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 144825478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).