2-oxo-N-(4-oxooctyl)hexadecanamide

C24H45NO3 — CID 44562729

IUPAC2-oxo-N-(4-oxooctyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)CCCC
InChIInChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23(27)24(28)25-21-17-19-22(26)18-6-4-2/h3-21H2,1-2H3,(H,25,28)
InChIKeyKKDWNBBNGZWLJO-UHFFFAOYSA-N
MW395.63 g/mol
LogP6.30
Rot. Bonds21

About 2-oxo-N-(4-oxooctyl)hexadecanamide

2-oxo-N-(4-oxooctyl)hexadecanamide (PubChem CID 44562729) has the molecular formula C24H45NO3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 2-oxo-N-(4-oxooctyl)hexadecanamide.

Molecular Properties

Compound Name2-oxo-N-(4-oxooctyl)hexadecanamide
PubChem CID44562729
Molecular FormulaC24H45NO3
Molecular Weight395.63 g/mol
Exact Mass395.34
IUPAC Name2-oxo-N-(4-oxooctyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)CCCC
InChIInChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23(27)24(28)25-21-17-19-22(26)18-6-4-2/h3-21H2,1-2H3,(H,25,28)
InChIKeyKKDWNBBNGZWLJO-UHFFFAOYSA-N
XLogP6.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-tetradecyloctadecanamide
CID 87948435
methyl 4-(2-oxohexadecanoylamino)butanoate
CID 11360688
N-(4-oxotetradecyl)acetamide
CID 164678896
dodecan-5-one
CID 29771
1-(oxidoamino)decan-4-one
CID 143220146
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
N-(8-oxotridecyl)hexanamide
CID 148531467
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-oxooctyl)hexadecanamide?
The IUPAC name of 2-oxo-N-(4-oxooctyl)hexadecanamide (CID 44562729) is 2-oxo-N-(4-oxooctyl)hexadecanamide.
What is the SMILES notation for 2-oxo-N-(4-oxooctyl)hexadecanamide?
The canonical SMILES for 2-oxo-N-(4-oxooctyl)hexadecanamide is CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)CCCC.
What is the InChIKey of 2-oxo-N-(4-oxooctyl)hexadecanamide?
The InChIKey is KKDWNBBNGZWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23(27)24(28)25-21-17-19-22(26)18-6-4-2/h3-21H2,1-2H3,(H,25,28).
What are the key properties of 2-oxo-N-(4-oxooctyl)hexadecanamide?
2-oxo-N-(4-oxooctyl)hexadecanamide has a molecular weight of 395.63 g/mol, XLogP of 6.30, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-oxooctyl)hexadecanamide is sourced from PubChem (CID 44562729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).