N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide

C16H22N2O — CID 163446116

IUPACN-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide
SMILESCC(=O)N(CC(C)CC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13(10-16(3,4)12-17)11-18(14(2)19)15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3
InChIKeyBCRAGIBJCWLGNX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.62
Rot. Bonds5

About N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide

N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide (PubChem CID 163446116) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide
PubChem CID163446116
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide
SMILESCC(=O)N(CC(C)CC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13(10-16(3,4)12-17)11-18(14(2)19)15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3
InChIKeyBCRAGIBJCWLGNX-UHFFFAOYSA-N
XLogP3.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide?
The IUPAC name of N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide (CID 163446116) is N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide.
What is the SMILES notation for N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide?
The canonical SMILES for N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide is CC(=O)N(CC(C)CC(C)(C)C#N)c1ccccc1.
What is the InChIKey of N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide?
The InChIKey is BCRAGIBJCWLGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(10-16(3,4)12-17)11-18(14(2)19)15-8-6-5-7-9-15/h5-9,13H,10-11H2,1-4H3.
What are the key properties of N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide?
N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide has a molecular weight of 258.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,4-dimethylpentyl)-N-phenylacetamide is sourced from PubChem (CID 163446116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).