N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide

C44H88N2O3 — CID 71346769

IUPACN,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C44H88N2O3/c1-5-9-13-17-21-25-29-33-37-45(38-34-30-26-22-18-14-10-6-2)43(47)41-49-42-44(48)46(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42H2,1-4H3
InChIKeyLYKKRABYZCPCGV-UHFFFAOYSA-N
MW693.20 g/mol
LogP13.22
Rot. Bonds40

About N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide

N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide (PubChem CID 71346769) has the molecular formula C44H88N2O3 and a molecular weight of 693.20 g/mol. Its IUPAC name is N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
PubChem CID71346769
Molecular FormulaC44H88N2O3
Molecular Weight693.20 g/mol
Exact Mass692.68
IUPAC NameN,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C44H88N2O3/c1-5-9-13-17-21-25-29-33-37-45(38-34-30-26-22-18-14-10-6-2)43(47)41-49-42-44(48)46(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42H2,1-4H3
InChIKeyLYKKRABYZCPCGV-UHFFFAOYSA-N
XLogP13.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.20
LogP ≤ 513.22
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

2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
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-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
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 N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide?
The IUPAC name of N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide (CID 71346769) is N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide.
What is the SMILES notation for N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide?
The canonical SMILES for N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)COCC(=O)N(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide?
The InChIKey is LYKKRABYZCPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H88N2O3/c1-5-9-13-17-21-25-29-33-37-45(38-34-30-26-22-18-14-10-6-2)43(47)41-49-42-44(48)46(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-42H2,1-4H3.
What are the key properties of N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide?
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide has a molecular weight of 693.20 g/mol, XLogP of 13.22, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 71346769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).