(2-anilino-2-oxoethyl)-benzyl-methylazanium

C16H19N2O+ — CID 8901163

IUPAC(2-anilino-2-oxoethyl)-benzyl-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(12-14-8-4-2-5-9-14)13-16(19)17-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)/p+1
InChIKeyNTVMBCYZQBWZIT-UHFFFAOYSA-O
MW255.34 g/mol
LogP1.34
Rot. Bonds5

About (2-anilino-2-oxoethyl)-benzyl-methylazanium

(2-anilino-2-oxoethyl)-benzyl-methylazanium (PubChem CID 8901163) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-benzyl-methylazanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-benzyl-methylazanium
PubChem CID8901163
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name(2-anilino-2-oxoethyl)-benzyl-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(12-14-8-4-2-5-9-14)13-16(19)17-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)/p+1
InChIKeyNTVMBCYZQBWZIT-UHFFFAOYSA-O
XLogP1.34
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-anilino-2-oxoethyl)-[(4-tert-butylphenyl)methyl]-methylazanium
CID 8908661
(2-anilino-2-oxoethyl)-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9199091
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 9003143
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 9003305
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-benzyl-methylazanium?
The IUPAC name of (2-anilino-2-oxoethyl)-benzyl-methylazanium (CID 8901163) is (2-anilino-2-oxoethyl)-benzyl-methylazanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-benzyl-methylazanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-benzyl-methylazanium is C[NH+](CC(=O)Nc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl)-benzyl-methylazanium?
The InChIKey is NTVMBCYZQBWZIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O/c1-18(12-14-8-4-2-5-9-14)13-16(19)17-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-benzyl-methylazanium?
(2-anilino-2-oxoethyl)-benzyl-methylazanium has a molecular weight of 255.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-benzyl-methylazanium is sourced from PubChem (CID 8901163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).