N',N'-dioctadecyloxamide

C38H76N2O2 — CID 54497742

IUPACN',N'-dioctadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(N)=O
InChIInChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(38(42)37(39)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,39,41)
InChIKeyYAHVCWKOEUAVTE-UHFFFAOYSA-N
MW593.04 g/mol
LogP11.82
Rot. Bonds34

About N',N'-dioctadecyloxamide

N',N'-dioctadecyloxamide (PubChem CID 54497742) has the molecular formula C38H76N2O2 and a molecular weight of 593.04 g/mol. Its IUPAC name is N',N'-dioctadecyloxamide.

Molecular Properties

Compound NameN',N'-dioctadecyloxamide
PubChem CID54497742
Molecular FormulaC38H76N2O2
Molecular Weight593.04 g/mol
Exact Mass592.59
IUPAC NameN',N'-dioctadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(N)=O
InChIInChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(38(42)37(39)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,39,41)
InChIKeyYAHVCWKOEUAVTE-UHFFFAOYSA-N
XLogP11.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.04
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetrahexyloxamide
CID 6424911
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-butyl-1-dodecylurea
CID 168918855
ethyl 2-(dihexylamino)-2-oxoacetate
CID 6425347
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
magnesium;N,N-dioctylcarbamothioate;carbamothioate
CID 87707575
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671

Frequently Asked Questions

What is the IUPAC name of N',N'-dioctadecyloxamide?
The IUPAC name of N',N'-dioctadecyloxamide (CID 54497742) is N',N'-dioctadecyloxamide.
What is the SMILES notation for N',N'-dioctadecyloxamide?
The canonical SMILES for N',N'-dioctadecyloxamide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(N)=O.
What is the InChIKey of N',N'-dioctadecyloxamide?
The InChIKey is YAHVCWKOEUAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(38(42)37(39)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,39,41).
What are the key properties of N',N'-dioctadecyloxamide?
N',N'-dioctadecyloxamide has a molecular weight of 593.04 g/mol, XLogP of 11.82, 34 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dioctadecyloxamide is sourced from PubChem (CID 54497742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).