bis(2-anilino-2-oxoethyl)-ethyl-methylazanium

C19H24N3O2+ — CID 123545617

IUPACbis(2-anilino-2-oxoethyl)-ethyl-methylazanium
SMILESCC[N+](C)(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-22(2,14-18(23)20-16-10-6-4-7-11-16)15-19(24)21-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H-,20,21,23,24)/p+1
InChIKeyWULINJJVLDVFEM-UHFFFAOYSA-O
MW326.42 g/mol
LogP2.73
Rot. Bonds7

About bis(2-anilino-2-oxoethyl)-ethyl-methylazanium

bis(2-anilino-2-oxoethyl)-ethyl-methylazanium (PubChem CID 123545617) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is bis(2-anilino-2-oxoethyl)-ethyl-methylazanium.

Molecular Properties

Compound Namebis(2-anilino-2-oxoethyl)-ethyl-methylazanium
PubChem CID123545617
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Namebis(2-anilino-2-oxoethyl)-ethyl-methylazanium
SMILESCC[N+](C)(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-22(2,14-18(23)20-16-10-6-4-7-11-16)15-19(24)21-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H-,20,21,23,24)/p+1
InChIKeyWULINJJVLDVFEM-UHFFFAOYSA-O
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.73
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

(2-anilino-2-oxoethyl)-(carboxymethyl)-dimethylazanium
CID 12595348
ethane;methane;N-phenylpropanamide
CID 159778408
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
3-oxo-N-phenylbutanamide
CID 161275903
2,2,3-trideuterio-N-phenylpropanamide
CID 71772190
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
S-(2-anilino-2-oxoethyl) ethanethioate
CID 54462547
3-(2-methylpentan-3-ylamino)-N-phenylpropanamide
CID 119106534
[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
CID 19993657
ethyl 3-anilino-3-oxopropanoate
CID 3016808

Frequently Asked Questions

What is the IUPAC name of bis(2-anilino-2-oxoethyl)-ethyl-methylazanium?
The IUPAC name of bis(2-anilino-2-oxoethyl)-ethyl-methylazanium (CID 123545617) is bis(2-anilino-2-oxoethyl)-ethyl-methylazanium.
What is the SMILES notation for bis(2-anilino-2-oxoethyl)-ethyl-methylazanium?
The canonical SMILES for bis(2-anilino-2-oxoethyl)-ethyl-methylazanium is CC[N+](C)(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1.
What is the InChIKey of bis(2-anilino-2-oxoethyl)-ethyl-methylazanium?
The InChIKey is WULINJJVLDVFEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O2/c1-3-22(2,14-18(23)20-16-10-6-4-7-11-16)15-19(24)21-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H-,20,21,23,24)/p+1.
What are the key properties of bis(2-anilino-2-oxoethyl)-ethyl-methylazanium?
bis(2-anilino-2-oxoethyl)-ethyl-methylazanium has a molecular weight of 326.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-anilino-2-oxoethyl)-ethyl-methylazanium is sourced from PubChem (CID 123545617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).