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

C15H28N2O2 — CID 106161676

IUPAC2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCCCC(C)CO
InChIInChI=1S/C15H28N2O2/c1-4-8-15(12-16,9-5-2)14(19)17-10-6-7-13(3)11-18/h13,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyNQTKOPYAJMGTTD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.62
Rot. Bonds10

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

2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide (PubChem CID 106161676) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
PubChem CID106161676
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCCCC(C)CO
InChIInChI=1S/C15H28N2O2/c1-4-8-15(12-16,9-5-2)14(19)17-10-6-7-13(3)11-18/h13,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyNQTKOPYAJMGTTD-UHFFFAOYSA-N
XLogP2.62
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.62
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-propoxypropyl)-2-propylpentanamide
CID 82941499
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
2-cyano-N-(1-hydroxy-3-methoxypropan-2-yl)-2-propylpentanamide
CID 106188923
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide (CID 106161676) is 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCCCC(C)CO.
What is the InChIKey of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide?
The InChIKey is NQTKOPYAJMGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-8-15(12-16,9-5-2)14(19)17-10-6-7-13(3)11-18/h13,18H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide?
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.62, 10 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-propylpentanamide is sourced from PubChem (CID 106161676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).