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

C16H30N2O2 — CID 106116834

IUPAC2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
SMILESCCCC(CCO)CNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C16H30N2O2/c1-4-7-14(8-11-19)12-18-15(20)16(13-17,9-5-2)10-6-3/h14,19H,4-12H2,1-3H3,(H,18,20)
InChIKeyQATYDNWYWUYAPI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.01
Rot. Bonds11

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

2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide (PubChem CID 106116834) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
PubChem CID106116834
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
SMILESCCCC(CCO)CNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C16H30N2O2/c1-4-7-14(8-11-19)12-18-15(20)16(13-17,9-5-2)10-6-3/h14,19H,4-12H2,1-3H3,(H,18,20)
InChIKeyQATYDNWYWUYAPI-UHFFFAOYSA-N
XLogP3.01
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-cyano-N-hex-1-yn-3-yl-2-propylpentanamide
CID 114161366
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide (CID 106116834) is 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide is CCCC(CCO)CNC(=O)C(C#N)(CCC)CCC.
What is the InChIKey of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide?
The InChIKey is QATYDNWYWUYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-7-14(8-11-19)12-18-15(20)16(13-17,9-5-2)10-6-3/h14,19H,4-12H2,1-3H3,(H,18,20).
What are the key properties of 2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide?
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide has a molecular weight of 282.43 g/mol, XLogP of 3.01, 11 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]-2-propylpentanamide is sourced from PubChem (CID 106116834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).