N-ethyl-3-oxohexanamide

C8H15NO2 — CID 88638325

IUPACN-ethyl-3-oxohexanamide
SMILESCCCC(=O)CC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-3-5-7(10)6-8(11)9-4-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyPQHSIAJJIHIBHU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.88
Rot. Bonds5

About N-ethyl-3-oxohexanamide

N-ethyl-3-oxohexanamide (PubChem CID 88638325) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-3-oxohexanamide.

Molecular Properties

Compound NameN-ethyl-3-oxohexanamide
PubChem CID88638325
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-3-oxohexanamide
SMILESCCCC(=O)CC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-3-5-7(10)6-8(11)9-4-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyPQHSIAJJIHIBHU-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.88
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

N,N'-diethylpropanediamide
CID 4600245
N-(2,2-dimethylpropyl)-3-oxohexanamide
CID 174880292
N-ethylbutanamide;methanimine
CID 142280316
N-ethyl-2-[2-(2-oxopentoxy)ethoxy]acetamide
CID 157484818
heptane-2,4-dione;palladium(2+)
CID 21417766
bis(3-oxohexanoic acid);silane
CID 175228530
bis(heptane-2,4-dione);platinum
CID 158167242
N,N'-diethylnonanediamide
CID 89048639
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-ethylpropanamide tetrafluoroborate
CID 88753462
2,4-dioxoheptanoic acid
CID 23169167

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxohexanamide?
The IUPAC name of N-ethyl-3-oxohexanamide (CID 88638325) is N-ethyl-3-oxohexanamide.
What is the SMILES notation for N-ethyl-3-oxohexanamide?
The canonical SMILES for N-ethyl-3-oxohexanamide is CCCC(=O)CC(=O)NCC.
What is the InChIKey of N-ethyl-3-oxohexanamide?
The InChIKey is PQHSIAJJIHIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-7(10)6-8(11)9-4-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-3-oxohexanamide?
N-ethyl-3-oxohexanamide has a molecular weight of 157.21 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxohexanamide is sourced from PubChem (CID 88638325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).