N-(2,6-diethylphenyl)-2-methylpentanamide

C16H25NO — CID 2952555

IUPACN-(2,6-diethylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C16H25NO/c1-5-9-12(4)16(18)17-15-13(6-2)10-8-11-14(15)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyJSMVSJHHWKIYPU-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.19
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-methylpentanamide

N-(2,6-diethylphenyl)-2-methylpentanamide (PubChem CID 2952555) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-methylpentanamide
PubChem CID2952555
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,6-diethylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C16H25NO/c1-5-9-12(4)16(18)17-15-13(6-2)10-8-11-14(15)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyJSMVSJHHWKIYPU-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
2-methyl-N-phenylpentanamide
CID 4627801
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[3-(chloromethyl)-2-propan-2-ylphenyl]-2-methylpentanamide
CID 166682257
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
2,3-dibromo-N-(2,6-diethylphenyl)propanamide
CID 14820859

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-methylpentanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-methylpentanamide (CID 2952555) is N-(2,6-diethylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-2-methylpentanamide?
The InChIKey is JSMVSJHHWKIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-12(4)16(18)17-15-13(6-2)10-8-11-14(15)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,17,18).
What are the key properties of N-(2,6-diethylphenyl)-2-methylpentanamide?
N-(2,6-diethylphenyl)-2-methylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-methylpentanamide is sourced from PubChem (CID 2952555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).