2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide

C13H21F3N2O2 — CID 107479545

IUPAC2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-8,10H2,1-2H3
InChIKeyOKYSDIYGMHUJDJ-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.48
Rot. Bonds8

About 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide

2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 107479545) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID107479545
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-8,10H2,1-2H3
InChIKeyOKYSDIYGMHUJDJ-UHFFFAOYSA-N
XLogP2.48
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61845267
2-cyano-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61873791
2-cyano-N,2-dipropyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61875628
2-cyano-N-methyl-2-propyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 65538391
N-(2-hydroxyethyl)-3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 103915403
N-(2-hydroxyethyl)-3,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 103915481
2-cyano-2-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 105646491
2-cyano-N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide
CID 105646523
2-cyano-N-(2,2-difluoro-3-hydroxypropyl)-2-propylpentanamide
CID 106173576
2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
CID 107479066
2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107479070
1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479514

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 107479545) is 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(C#N)(CCC)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is OKYSDIYGMHUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-8,10H2,1-2H3.
What are the key properties of 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 294.32 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 107479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).