[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride

C20H28ClN3O — CID 19993657

IUPAC[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
SMILESCC[N+](CC)(CC)CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-]
InChIInChI=1S/C20H27N3O.ClH/c1-4-23(5-2,6-3)16-20(24)22-19-15-11-10-14-18(19)21-17-12-8-7-9-13-17;/h7-15,21H,4-6,16H2,1-3H3;1H
InChIKeyXEJDSRHICJKDHS-UHFFFAOYSA-N
MW361.92 g/mol
LogP1.25
Rot. Bonds8

About [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride

[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride (PubChem CID 19993657) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride.

Molecular Properties

Compound Name[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
PubChem CID19993657
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
SMILESCC[N+](CC)(CC)CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-]
InChIInChI=1S/C20H27N3O.ClH/c1-4-23(5-2,6-3)16-20(24)22-19-15-11-10-14-18(19)21-17-12-8-7-9-13-17;/h7-15,21H,4-6,16H2,1-3H3;1H
InChIKeyXEJDSRHICJKDHS-UHFFFAOYSA-N
XLogP1.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2-anilinophenyl)carbamate
CID 12930175
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 19993624
bis(2-anilino-2-oxoethyl)-ethyl-methylazanium
CID 123545617
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
N-(2-anilinophenyl)-2-ethoxypyridine-3-carboxamide
CID 44760849
triethyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]azanium formate
CID 44604568
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
CID 19993656
sodium 5-(2-anilinoanilino)-3,3-difluoro-5-oxopentanoate
CID 166357843
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 15487
N-[2-(2-methylanilino)phenyl]-3-sulfanylpropanamide
CID 54533321
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056

Frequently Asked Questions

What is the IUPAC name of [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride?
The IUPAC name of [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride (CID 19993657) is [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride.
What is the SMILES notation for [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride?
The canonical SMILES for [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride is CC[N+](CC)(CC)CC(=O)Nc1ccccc1Nc1ccccc1.[Cl-].
What is the InChIKey of [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride?
The InChIKey is XEJDSRHICJKDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.ClH/c1-4-23(5-2,6-3)16-20(24)22-19-15-11-10-14-18(19)21-17-12-8-7-9-13-17;/h7-15,21H,4-6,16H2,1-3H3;1H.
What are the key properties of [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride?
[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride has a molecular weight of 361.92 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride is sourced from PubChem (CID 19993657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).