2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide

C52H100N2O3 — CID 601910

IUPAC2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C52H100N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-53(46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(55)47-57-48-52(56)54(49-41-35-33-36-42-49)50-43-37-34-38-44-50/h49-50H,3-48H2,1-2H3
InChIKeyCLLKVTAGSOWKHA-UHFFFAOYSA-N
MW801.38 g/mol
LogP15.85
Rot. Bonds40

About 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide

2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide (PubChem CID 601910) has the molecular formula C52H100N2O3 and a molecular weight of 801.38 g/mol. Its IUPAC name is 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide.

Molecular Properties

Compound Name2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
PubChem CID601910
Molecular FormulaC52H100N2O3
Molecular Weight801.38 g/mol
Exact Mass800.77
IUPAC Name2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C52H100N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-53(46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(55)47-57-48-52(56)54(49-41-35-33-36-42-49)50-43-37-34-38-44-50/h49-50H,3-48H2,1-2H3
InChIKeyCLLKVTAGSOWKHA-UHFFFAOYSA-N
XLogP15.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.38
LogP ≤ 515.85
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-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
CID 162714855
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
CID 158046267
CID 158046267
N-butyl-2-cyclohexyloxy-N-ethylacetamide
CID 87000824
2-[2-[ethyl(methyl)amino]ethoxy]-N,N-dihexylacetamide
CID 175987181
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
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide?
The IUPAC name of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide (CID 601910) is 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide.
What is the SMILES notation for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide?
The canonical SMILES for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide?
The InChIKey is CLLKVTAGSOWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-53(46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(55)47-57-48-52(56)54(49-41-35-33-36-42-49)50-43-37-34-38-44-50/h49-50H,3-48H2,1-2H3.
What are the key properties of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide?
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide has a molecular weight of 801.38 g/mol, XLogP of 15.85, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide is sourced from PubChem (CID 601910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).