2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide

C13H24N2O2 — CID 106116827

IUPAC2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
SMILESCCCC(CCO)CNC(=O)C(C#N)CCC
InChIInChI=1S/C13H24N2O2/c1-3-5-11(7-8-16)10-15-13(17)12(9-14)6-4-2/h11-12,16H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyXMKDMDFWJBKQMC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.84
Rot. Bonds9

About 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide

2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide (PubChem CID 106116827) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
PubChem CID106116827
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
SMILESCCCC(CCO)CNC(=O)C(C#N)CCC
InChIInChI=1S/C13H24N2O2/c1-3-5-11(7-8-16)10-15-13(17)12(9-14)6-4-2/h11-12,16H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyXMKDMDFWJBKQMC-UHFFFAOYSA-N
XLogP1.84
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide?
The IUPAC name of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide (CID 106116827) is 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide?
The canonical SMILES for 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide is CCCC(CCO)CNC(=O)C(C#N)CCC.
What is the InChIKey of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide?
The InChIKey is XMKDMDFWJBKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-11(7-8-16)10-15-13(17)12(9-14)6-4-2/h11-12,16H,3-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide?
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide is sourced from PubChem (CID 106116827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).