2-methoxy-N,N-dioctylacetamide

C19H39NO2 — CID 533186

IUPAC2-methoxy-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COC
InChIInChI=1S/C19H39NO2/c1-4-6-8-10-12-14-16-20(19(21)18-22-3)17-15-13-11-9-7-5-2/h4-18H2,1-3H3
InChIKeyOPUFSHOVJIVIIL-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.18
Rot. Bonds16

About 2-methoxy-N,N-dioctylacetamide

2-methoxy-N,N-dioctylacetamide (PubChem CID 533186) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-methoxy-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-methoxy-N,N-dioctylacetamide
PubChem CID533186
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name2-methoxy-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COC
InChIInChI=1S/C19H39NO2/c1-4-6-8-10-12-14-16-20(19(21)18-22-3)17-15-13-11-9-7-5-2/h4-18H2,1-3H3
InChIKeyOPUFSHOVJIVIIL-UHFFFAOYSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dioctylacetamide?
The IUPAC name of 2-methoxy-N,N-dioctylacetamide (CID 533186) is 2-methoxy-N,N-dioctylacetamide.
What is the SMILES notation for 2-methoxy-N,N-dioctylacetamide?
The canonical SMILES for 2-methoxy-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)COC.
What is the InChIKey of 2-methoxy-N,N-dioctylacetamide?
The InChIKey is OPUFSHOVJIVIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-4-6-8-10-12-14-16-20(19(21)18-22-3)17-15-13-11-9-7-5-2/h4-18H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dioctylacetamide?
2-methoxy-N,N-dioctylacetamide has a molecular weight of 313.53 g/mol, XLogP of 5.18, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dioctylacetamide is sourced from PubChem (CID 533186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).