(octadecanoylamino)-oxidoazanium

C18H38N2O2 — CID 175920168

IUPAC(octadecanoylamino)-oxidoazanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N[NH2+][O-]
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19-20-22/h2-17,20H2,1H3,(H,19,21)
InChIKeyVWKSNTBPDPHRHH-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.34
Rot. Bonds17

About (octadecanoylamino)-oxidoazanium

(octadecanoylamino)-oxidoazanium (PubChem CID 175920168) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is (octadecanoylamino)-oxidoazanium.

Molecular Properties

Compound Name(octadecanoylamino)-oxidoazanium
PubChem CID175920168
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name(octadecanoylamino)-oxidoazanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N[NH2+][O-]
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19-20-22/h2-17,20H2,1H3,(H,19,21)
InChIKeyVWKSNTBPDPHRHH-UHFFFAOYSA-N
XLogP4.34
TPSA68.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-oxidotetradecanamide
CID 23094369
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-(hydroxymethyl)henicosanamide
CID 102116485
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
N-chlorodocosanamide
CID 141032944

Frequently Asked Questions

What is the IUPAC name of (octadecanoylamino)-oxidoazanium?
The IUPAC name of (octadecanoylamino)-oxidoazanium (CID 175920168) is (octadecanoylamino)-oxidoazanium.
What is the SMILES notation for (octadecanoylamino)-oxidoazanium?
The canonical SMILES for (octadecanoylamino)-oxidoazanium is CCCCCCCCCCCCCCCCCC(=O)N[NH2+][O-].
What is the InChIKey of (octadecanoylamino)-oxidoazanium?
The InChIKey is VWKSNTBPDPHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19-20-22/h2-17,20H2,1H3,(H,19,21).
What are the key properties of (octadecanoylamino)-oxidoazanium?
(octadecanoylamino)-oxidoazanium has a molecular weight of 314.51 g/mol, XLogP of 4.34, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (octadecanoylamino)-oxidoazanium is sourced from PubChem (CID 175920168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).