2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide

C36H72N2O3 — CID 70700400

IUPAC2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C36H72N2O3/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)35(39)33-41-34-36(40)38(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3
InChIKeyVRZYWIAVUGQHKB-UHFFFAOYSA-N
MW580.98 g/mol
LogP10.10
Rot. Bonds32

About 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide

2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide (PubChem CID 70700400) has the molecular formula C36H72N2O3 and a molecular weight of 580.98 g/mol. Its IUPAC name is 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide
PubChem CID70700400
Molecular FormulaC36H72N2O3
Molecular Weight580.98 g/mol
Exact Mass580.55
IUPAC Name2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C36H72N2O3/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)35(39)33-41-34-36(40)38(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3
InChIKeyVRZYWIAVUGQHKB-UHFFFAOYSA-N
XLogP10.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.98
LogP ≤ 510.10
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-oxoethoxy]-N,N-dioctylacetamide?
The IUPAC name of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide (CID 70700400) is 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide.
What is the SMILES notation for 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide?
The canonical SMILES for 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide?
The InChIKey is VRZYWIAVUGQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O3/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)35(39)33-41-34-36(40)38(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3.
What are the key properties of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide?
2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide has a molecular weight of 580.98 g/mol, XLogP of 10.10, 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-oxoethoxy]-N,N-dioctylacetamide is sourced from PubChem (CID 70700400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).