N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide

C16H22N2O — CID 662280

IUPACN-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide
SMILESCCC(C)(CC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-16(2,14-9-6-5-7-10-14)13-15(19)18(3)12-8-11-17/h5-7,9-10H,4,8,12-13H2,1-3H3
InChIKeyHYFBONYIXYAAIH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.12
Rot. Bonds6

About N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide

N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide (PubChem CID 662280) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide
PubChem CID662280
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide
SMILESCCC(C)(CC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-16(2,14-9-6-5-7-10-14)13-15(19)18(3)12-8-11-17/h5-7,9-10H,4,8,12-13H2,1-3H3
InChIKeyHYFBONYIXYAAIH-UHFFFAOYSA-N
XLogP3.12
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide?
The IUPAC name of N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide (CID 662280) is N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide?
The canonical SMILES for N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide is CCC(C)(CC(=O)N(C)CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide?
The InChIKey is HYFBONYIXYAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-16(2,14-9-6-5-7-10-14)13-15(19)18(3)12-8-11-17/h5-7,9-10H,4,8,12-13H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide?
N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide has a molecular weight of 258.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide is sourced from PubChem (CID 662280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).