triethyl-(octadecanoylamino)azanium

C24H51N2O+ — CID 54543010

IUPACtriethyl-(octadecanoylamino)azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N[N+](CC)(CC)CC
InChIInChI=1S/C24H50N2O/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27)25-26(6-2,7-3)8-4/h5-23H2,1-4H3/p+1
InChIKeyKBBUSMZWIAHXFT-UHFFFAOYSA-O
MW383.69 g/mol
LogP7.16
Rot. Bonds20

About triethyl-(octadecanoylamino)azanium

triethyl-(octadecanoylamino)azanium (PubChem CID 54543010) has the molecular formula C24H51N2O+ and a molecular weight of 383.69 g/mol. Its IUPAC name is triethyl-(octadecanoylamino)azanium.

Molecular Properties

Compound Nametriethyl-(octadecanoylamino)azanium
PubChem CID54543010
Molecular FormulaC24H51N2O+
Molecular Weight383.69 g/mol
Exact Mass383.40
IUPAC Nametriethyl-(octadecanoylamino)azanium
SMILESCCCCCCCCCCCCCCCCCC(=O)N[N+](CC)(CC)CC
InChIInChI=1S/C24H50N2O/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27)25-26(6-2,7-3)8-4/h5-23H2,1-4H3/p+1
InChIKeyKBBUSMZWIAHXFT-UHFFFAOYSA-O
XLogP7.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.69
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
(dodecanoylamino)-dimethyl-propylazanium chloride
CID 175462059
2-hydroxyethyl-dimethyl-(octanoylamino)azanium
CID 15496013
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-pentan-3-yldocosanamide
CID 123339332
N-chlorodocosanamide
CID 141032944
N-oxidotetradecanamide
CID 23094369

Frequently Asked Questions

What is the IUPAC name of triethyl-(octadecanoylamino)azanium?
The IUPAC name of triethyl-(octadecanoylamino)azanium (CID 54543010) is triethyl-(octadecanoylamino)azanium.
What is the SMILES notation for triethyl-(octadecanoylamino)azanium?
The canonical SMILES for triethyl-(octadecanoylamino)azanium is CCCCCCCCCCCCCCCCCC(=O)N[N+](CC)(CC)CC.
What is the InChIKey of triethyl-(octadecanoylamino)azanium?
The InChIKey is KBBUSMZWIAHXFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H50N2O/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27)25-26(6-2,7-3)8-4/h5-23H2,1-4H3/p+1.
What are the key properties of triethyl-(octadecanoylamino)azanium?
triethyl-(octadecanoylamino)azanium has a molecular weight of 383.69 g/mol, XLogP of 7.16, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(octadecanoylamino)azanium is sourced from PubChem (CID 54543010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).