2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide

C10H18N2O2 — CID 107299932

IUPAC2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H18N2O2/c1-8(13)5-4-6-12-9(14)10(2,3)7-11/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyNTDWUSUDGKPHAZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds5

About 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide

2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide (PubChem CID 107299932) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
PubChem CID107299932
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H18N2O2/c1-8(13)5-4-6-12-9(14)10(2,3)7-11/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyNTDWUSUDGKPHAZ-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
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-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
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-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
CID 106134399
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
CID 89235197
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide (CID 107299932) is 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide is CC(O)CCCNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide?
The InChIKey is NTDWUSUDGKPHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)5-4-6-12-9(14)10(2,3)7-11/h8,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide?
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide is sourced from PubChem (CID 107299932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).