2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide

C13H22N2O2 — CID 113394780

IUPAC2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC1CCCCCC1O
InChIInChI=1S/C13H22N2O2/c1-3-13(2,9-14)12(17)15-10-7-5-4-6-8-11(10)16/h10-11,16H,3-8H2,1-2H3,(H,15,17)
InChIKeySELSLMNQLPBYLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.74
Rot. Bonds3

About 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide

2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide (PubChem CID 113394780) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
PubChem CID113394780
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC1CCCCCC1O
InChIInChI=1S/C13H22N2O2/c1-3-13(2,9-14)12(17)15-10-7-5-4-6-8-11(10)16/h10-11,16H,3-8H2,1-2H3,(H,15,17)
InChIKeySELSLMNQLPBYLX-UHFFFAOYSA-N
XLogP1.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylbutanamide
CID 114290964
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
CID 76941448
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
2-cyano-N-(2-hydroxycyclohexyl)acetamide
CID 62358723

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide (CID 113394780) is 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide is CCC(C)(C#N)C(=O)NC1CCCCCC1O.
What is the InChIKey of 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide?
The InChIKey is SELSLMNQLPBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-13(2,9-14)12(17)15-10-7-5-4-6-8-11(10)16/h10-11,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide?
2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.74, 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-hydroxycycloheptyl)-2-methylbutanamide is sourced from PubChem (CID 113394780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).