2-benzamidoethyl-dimethyl-octylazanium

C19H33N2O+ — CID 101426942

IUPAC2-benzamidoethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H32N2O/c1-4-5-6-7-8-12-16-21(2,3)17-15-20-19(22)18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3/p+1
InChIKeyARXJYFPBKUMNBE-UHFFFAOYSA-O
MW305.49 g/mol
LogP3.85
Rot. Bonds11

About 2-benzamidoethyl-dimethyl-octylazanium

2-benzamidoethyl-dimethyl-octylazanium (PubChem CID 101426942) has the molecular formula C19H33N2O+ and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-benzamidoethyl-dimethyl-octylazanium.

Molecular Properties

Compound Name2-benzamidoethyl-dimethyl-octylazanium
PubChem CID101426942
Molecular FormulaC19H33N2O+
Molecular Weight305.49 g/mol
Exact Mass305.26
IUPAC Name2-benzamidoethyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H32N2O/c1-4-5-6-7-8-12-16-21(2,3)17-15-20-19(22)18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3/p+1
InChIKeyARXJYFPBKUMNBE-UHFFFAOYSA-O
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadec-9-enylbenzamide
CID 54554566
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
2-[(4-methoxybenzoyl)amino]ethyl-methyl-dioctylazanium iodide
CID 71506107
2-[3-[dodecyl(dimethyl)azaniumyl]propylcarbamoyl]phenolate;hydrobromide
CID 138399033
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-(3,4-diaminodecyl)benzamide
CID 174528291
CID 131885807
CID 131885807
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
(4-benzoylphenyl)methyl-dimethyl-octadecylazanium
CID 102045081
1H-azepine;N-pentylbenzamide
CID 175240845
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl-dimethyl-octylazanium?
The IUPAC name of 2-benzamidoethyl-dimethyl-octylazanium (CID 101426942) is 2-benzamidoethyl-dimethyl-octylazanium.
What is the SMILES notation for 2-benzamidoethyl-dimethyl-octylazanium?
The canonical SMILES for 2-benzamidoethyl-dimethyl-octylazanium is CCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl-dimethyl-octylazanium?
The InChIKey is ARXJYFPBKUMNBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O/c1-4-5-6-7-8-12-16-21(2,3)17-15-20-19(22)18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3/p+1.
What are the key properties of 2-benzamidoethyl-dimethyl-octylazanium?
2-benzamidoethyl-dimethyl-octylazanium has a molecular weight of 305.49 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl-dimethyl-octylazanium is sourced from PubChem (CID 101426942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).