N,N,N',N'-tetrahexyloxamide

C26H52N2O2 — CID 6424911

IUPACN,N,N',N'-tetrahexyloxamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C26H52N2O2/c1-5-9-13-17-21-27(22-18-14-10-6-2)25(29)26(30)28(23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3
InChIKeyIBCLPRPRYAHGPE-UHFFFAOYSA-N
MW424.71 g/mol
LogP6.96
Rot. Bonds20

About N,N,N',N'-tetrahexyloxamide

N,N,N',N'-tetrahexyloxamide (PubChem CID 6424911) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is N,N,N',N'-tetrahexyloxamide.

Molecular Properties

Compound NameN,N,N',N'-tetrahexyloxamide
PubChem CID6424911
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC NameN,N,N',N'-tetrahexyloxamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)N(CCCCCC)CCCCCC
InChIInChI=1S/C26H52N2O2/c1-5-9-13-17-21-27(22-18-14-10-6-2)25(29)26(30)28(23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3
InChIKeyIBCLPRPRYAHGPE-UHFFFAOYSA-N
XLogP6.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 56.96
H-Bond Donors ≤ 50
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'-dioctadecyloxamide
CID 54497742
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
ethyl 2-(dihexylamino)-2-oxoacetate
CID 6425347
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N-butyl-N-heptylacetamide
CID 91713167
di(undecyl)carbamothioic S-acid
CID 87619632
didodecylcarbamothioic S-acid
CID 87178989
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrahexyloxamide?
The IUPAC name of N,N,N',N'-tetrahexyloxamide (CID 6424911) is N,N,N',N'-tetrahexyloxamide.
What is the SMILES notation for N,N,N',N'-tetrahexyloxamide?
The canonical SMILES for N,N,N',N'-tetrahexyloxamide is CCCCCCN(CCCCCC)C(=O)C(=O)N(CCCCCC)CCCCCC.
What is the InChIKey of N,N,N',N'-tetrahexyloxamide?
The InChIKey is IBCLPRPRYAHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-5-9-13-17-21-27(22-18-14-10-6-2)25(29)26(30)28(23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3.
What are the key properties of N,N,N',N'-tetrahexyloxamide?
N,N,N',N'-tetrahexyloxamide has a molecular weight of 424.71 g/mol, XLogP of 6.96, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrahexyloxamide is sourced from PubChem (CID 6424911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).