2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide

C37H75N3O2 — CID 71551252

IUPAC2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CN(C)CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C37H75N3O2/c1-6-10-14-18-22-26-30-39(31-27-23-19-15-11-7-2)36(41)34-38(5)35-37(42)40(32-28-24-20-16-12-8-3)33-29-25-21-17-13-9-4/h6-35H2,1-5H3
InChIKeyVYQLYCLTFJDXGV-UHFFFAOYSA-N
MW594.03 g/mol
LogP10.02
Rot. Bonds32

About 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide

2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide (PubChem CID 71551252) has the molecular formula C37H75N3O2 and a molecular weight of 594.03 g/mol. Its IUPAC name is 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide
PubChem CID71551252
Molecular FormulaC37H75N3O2
Molecular Weight594.03 g/mol
Exact Mass593.59
IUPAC Name2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CN(C)CC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C37H75N3O2/c1-6-10-14-18-22-26-30-39(31-27-23-19-15-11-7-2)36(41)34-38(5)35-37(42)40(32-28-24-20-16-12-8-3)33-29-25-21-17-13-9-4/h6-35H2,1-5H3
InChIKeyVYQLYCLTFJDXGV-UHFFFAOYSA-N
XLogP10.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.03
LogP ≤ 510.02
H-Bond Donors ≤ 50
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-oxoethyl]-methylamino]-N,N-dioctylacetamide?
The IUPAC name of 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide (CID 71551252) is 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide.
What is the SMILES notation for 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide?
The canonical SMILES for 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)CN(C)CC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide?
The InChIKey is VYQLYCLTFJDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75N3O2/c1-6-10-14-18-22-26-30-39(31-27-23-19-15-11-7-2)36(41)34-38(5)35-37(42)40(32-28-24-20-16-12-8-3)33-29-25-21-17-13-9-4/h6-35H2,1-5H3.
What are the key properties of 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide?
2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide has a molecular weight of 594.03 g/mol, XLogP of 10.02, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dioctylamino)-2-oxoethyl]-methylamino]-N,N-dioctylacetamide is sourced from PubChem (CID 71551252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).