N-(2,6-diethylphenyl)-3-oxoheptanamide

C17H25NO2 — CID 71337961

IUPACN-(2,6-diethylphenyl)-3-oxoheptanamide
SMILESCCCCC(=O)CC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C17H25NO2/c1-4-7-11-15(19)12-16(20)18-17-13(5-2)9-8-10-14(17)6-3/h8-10H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyYBEZOTVLEHCMKB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.90
Rot. Bonds8

About N-(2,6-diethylphenyl)-3-oxoheptanamide

N-(2,6-diethylphenyl)-3-oxoheptanamide (PubChem CID 71337961) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-oxoheptanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-oxoheptanamide
PubChem CID71337961
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2,6-diethylphenyl)-3-oxoheptanamide
SMILESCCCCC(=O)CC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C17H25NO2/c1-4-7-11-15(19)12-16(20)18-17-13(5-2)9-8-10-14(17)6-3/h8-10H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyYBEZOTVLEHCMKB-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-oxoheptanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-oxoheptanamide (CID 71337961) is N-(2,6-diethylphenyl)-3-oxoheptanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-oxoheptanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-oxoheptanamide is CCCCC(=O)CC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-3-oxoheptanamide?
The InChIKey is YBEZOTVLEHCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-7-11-15(19)12-16(20)18-17-13(5-2)9-8-10-14(17)6-3/h8-10H,4-7,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,6-diethylphenyl)-3-oxoheptanamide?
N-(2,6-diethylphenyl)-3-oxoheptanamide has a molecular weight of 275.39 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-oxoheptanamide is sourced from PubChem (CID 71337961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).