2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide

C11H20N2O2 — CID 103862154

IUPAC2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
SMILESCC(CO)CCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-9(7-14)5-4-6-13-10(15)11(2,3)8-12/h9,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyXXYKWKDSVNMIDO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.06
Rot. Bonds6

About 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide

2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide (PubChem CID 103862154) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
PubChem CID103862154
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
SMILESCC(CO)CCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-9(7-14)5-4-6-13-10(15)11(2,3)8-12/h9,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyXXYKWKDSVNMIDO-UHFFFAOYSA-N
XLogP1.06
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide (CID 103862154) is 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide is CC(CO)CCCNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide?
The InChIKey is XXYKWKDSVNMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(7-14)5-4-6-13-10(15)11(2,3)8-12/h9,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide?
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide is sourced from PubChem (CID 103862154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).