2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide

C52H104N2O3 — CID 71406470

IUPAC2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2)51(55)49-57-50-52(56)54(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-50H2,1-4H3
InChIKeyRENCWBGDPNGEFY-UHFFFAOYSA-N
MW805.41 g/mol
LogP16.34
Rot. Bonds48

About 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide

2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide (PubChem CID 71406470) has the molecular formula C52H104N2O3 and a molecular weight of 805.41 g/mol. Its IUPAC name is 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide.

Molecular Properties

Compound Name2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
PubChem CID71406470
Molecular FormulaC52H104N2O3
Molecular Weight805.41 g/mol
Exact Mass804.80
IUPAC Name2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2)51(55)49-57-50-52(56)54(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-50H2,1-4H3
InChIKeyRENCWBGDPNGEFY-UHFFFAOYSA-N
XLogP16.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.41
LogP ≤ 516.34
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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Related Compounds

N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
2-methoxy-N,N-dipentylacetamide
CID 60776145
2-[2-[ethyl(methyl)amino]ethoxy]-N,N-dihexylacetamide
CID 175987181
2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
CID 102344381
N,N-dibutyl-2-propoxyacetamide
CID 48656867
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
CID 601910
[2-(dioctadecylamino)-2-oxoethyl] 2-aminoacetate
CID 54404734

Frequently Asked Questions

What is the IUPAC name of 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide?
The IUPAC name of 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide (CID 71406470) is 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide.
What is the SMILES notation for 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide?
The canonical SMILES for 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide?
The InChIKey is RENCWBGDPNGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2)51(55)49-57-50-52(56)54(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-50H2,1-4H3.
What are the key properties of 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide?
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide has a molecular weight of 805.41 g/mol, XLogP of 16.34, 48 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide is sourced from PubChem (CID 71406470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).