2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide

C11H20N2O2 — CID 107199534

IUPAC2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
SMILESCN(CCCCCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-11(2,9-12)10(15)13(3)7-5-4-6-8-14/h14H,4-8H2,1-3H3
InChIKeyNOHHWFXEVGPBCI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.16
Rot. Bonds6

About 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide

2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide (PubChem CID 107199534) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
PubChem CID107199534
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
SMILESCN(CCCCCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O2/c1-11(2,9-12)10(15)13(3)7-5-4-6-8-14/h14H,4-8H2,1-3H3
InChIKeyNOHHWFXEVGPBCI-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
2-cyano-N,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
CID 78924769
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
5-hydroxypentyl(methyl)cyanamide
CID 107199507
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
CID 107199530
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-[tert-butyl-[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201739
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide (CID 107199534) is 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide is CN(CCCCCO)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide?
The InChIKey is NOHHWFXEVGPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,9-12)10(15)13(3)7-5-4-6-8-14/h14H,4-8H2,1-3H3.
What are the key properties of 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide?
2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 107199534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).