N,N-dioctylacetamide

C18H37NO — CID 588477

IUPACN,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(C)=O
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyQAPQXJJNILFLOD-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.56
Rot. Bonds14

About N,N-dioctylacetamide

N,N-dioctylacetamide (PubChem CID 588477) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N-dioctylacetamide.

Molecular Properties

Compound NameN,N-dioctylacetamide
PubChem CID588477
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(C)=O
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyQAPQXJJNILFLOD-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyldodecanamide
CID 18783
N,N-Dibutyldodecanamide
CID 219313
n,n-Dihexylacetamide
CID 243972
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
Acetamide, N-hexadecyl-
CID 3322721
N,N-Diethyloctadecanamide
CID 575487
N,N-Dibutyloctanamide
CID 93627
Octanamide, N,N-dihexyl-
CID 533135
N,N-Dipentylacetamide
CID 345912
N,N-dibutylnonanamide
CID 304140

Frequently Asked Questions

What is the IUPAC name of N,N-dioctylacetamide?
The IUPAC name of N,N-dioctylacetamide (CID 588477) is N,N-dioctylacetamide.
What is the SMILES notation for N,N-dioctylacetamide?
The canonical SMILES for N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(C)=O.
What is the InChIKey of N,N-dioctylacetamide?
The InChIKey is QAPQXJJNILFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-6-8-10-12-14-16-19(18(3)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of N,N-dioctylacetamide?
N,N-dioctylacetamide has a molecular weight of 283.50 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctylacetamide is sourced from PubChem (CID 588477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).