2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide

C28H56N2O3 — CID 172678045

IUPAC2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCNC(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H56N2O3/c1-4-7-10-13-16-19-22-29-27(31)25-33-26-28(32)30(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-26H2,1-3H3,(H,29,31)
InChIKeyMJUHWQGINHOXTF-UHFFFAOYSA-N
MW468.77 g/mol
LogP7.03
Rot. Bonds25

About 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide

2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide (PubChem CID 172678045) has the molecular formula C28H56N2O3 and a molecular weight of 468.77 g/mol. Its IUPAC name is 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide.

Molecular Properties

Compound Name2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide
PubChem CID172678045
Molecular FormulaC28H56N2O3
Molecular Weight468.77 g/mol
Exact Mass468.43
IUPAC Name2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCNC(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H56N2O3/c1-4-7-10-13-16-19-22-29-27(31)25-33-26-28(32)30(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-26H2,1-3H3,(H,29,31)
InChIKeyMJUHWQGINHOXTF-UHFFFAOYSA-N
XLogP7.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide?
The IUPAC name of 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide (CID 172678045) is 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide.
What is the SMILES notation for 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide?
The canonical SMILES for 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide is CCCCCCCCNC(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide?
The InChIKey is MJUHWQGINHOXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O3/c1-4-7-10-13-16-19-22-29-27(31)25-33-26-28(32)30(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-26H2,1-3H3,(H,29,31).
What are the key properties of 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide?
2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide has a molecular weight of 468.77 g/mol, XLogP of 7.03, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dioctylamino)-2-oxoethoxy]-N-octylacetamide is sourced from PubChem (CID 172678045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).