N-(2,6-diethylphenyl)-4-oxopentanamide

C15H21NO2 — CID 65419318

IUPACN-(2,6-diethylphenyl)-4-oxopentanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(C)=O
InChIInChI=1S/C15H21NO2/c1-4-12-7-6-8-13(5-2)15(12)16-14(18)10-9-11(3)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyHGOJEEOHCZLYKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.12
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-oxopentanamide

N-(2,6-diethylphenyl)-4-oxopentanamide (PubChem CID 65419318) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-oxopentanamide
PubChem CID65419318
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,6-diethylphenyl)-4-oxopentanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(C)=O
InChIInChI=1S/C15H21NO2/c1-4-12-7-6-8-13(5-2)15(12)16-14(18)10-9-11(3)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyHGOJEEOHCZLYKA-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795547
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
N-(2,6-diethylphenyl)-3-oxoheptanamide
CID 71337961
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-oxopentanamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-oxopentanamide (CID 65419318) is N-(2,6-diethylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-oxopentanamide is CCc1cccc(CC)c1NC(=O)CCC(C)=O.
What is the InChIKey of N-(2,6-diethylphenyl)-4-oxopentanamide?
The InChIKey is HGOJEEOHCZLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-12-7-6-8-13(5-2)15(12)16-14(18)10-9-11(3)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,6-diethylphenyl)-4-oxopentanamide?
N-(2,6-diethylphenyl)-4-oxopentanamide has a molecular weight of 247.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-oxopentanamide is sourced from PubChem (CID 65419318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).