2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide

C59H117N3O6 — CID 174303360

IUPAC2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCC(C)(COCC(=O)N(CCCCCCCC)CCCCCCCC)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C59H117N3O6/c1-8-14-20-26-32-38-44-60(45-39-33-27-21-15-9-2)56(63)50-66-53-59(7,54-67-51-57(64)61(46-40-34-28-22-16-10-3)47-41-35-29-23-17-11-4)55-68-52-58(65)62(48-42-36-30-24-18-12-5)49-43-37-31-25-19-13-6/h8-55H2,1-7H3
InChIKeyCULVSHARVVCPLV-UHFFFAOYSA-N
MW964.60 g/mol
LogP15.69
Rot. Bonds54

About 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide

2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide (PubChem CID 174303360) has the molecular formula C59H117N3O6 and a molecular weight of 964.60 g/mol. Its IUPAC name is 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
PubChem CID174303360
Molecular FormulaC59H117N3O6
Molecular Weight964.60 g/mol
Exact Mass963.89
IUPAC Name2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COCC(C)(COCC(=O)N(CCCCCCCC)CCCCCCCC)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C59H117N3O6/c1-8-14-20-26-32-38-44-60(45-39-33-27-21-15-9-2)56(63)50-66-53-59(7,54-67-51-57(64)61(46-40-34-28-22-16-10-3)47-41-35-29-23-17-11-4)55-68-52-58(65)62(48-42-36-30-24-18-12-5)49-43-37-31-25-19-13-6/h8-55H2,1-7H3
InChIKeyCULVSHARVVCPLV-UHFFFAOYSA-N
XLogP15.69
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds54
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.60
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide
CID 19774006
2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
CID 167132315
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-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
CID 102344381
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
N,N-dibutyl-2-propoxyacetamide
CID 48656867

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide?
The IUPAC name of 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide (CID 174303360) is 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide.
What is the SMILES notation for 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide?
The canonical SMILES for 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)COCC(C)(COCC(=O)N(CCCCCCCC)CCCCCCCC)COCC(=O)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide?
The InChIKey is CULVSHARVVCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H117N3O6/c1-8-14-20-26-32-38-44-60(45-39-33-27-21-15-9-2)56(63)50-66-53-59(7,54-67-51-57(64)61(46-40-34-28-22-16-10-3)47-41-35-29-23-17-11-4)55-68-52-58(65)62(48-42-36-30-24-18-12-5)49-43-37-31-25-19-13-6/h8-55H2,1-7H3.
What are the key properties of 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide?
2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide has a molecular weight of 964.60 g/mol, XLogP of 15.69, 54 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide is sourced from PubChem (CID 174303360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).