benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium

C19H25N2O+ — CID 8541334

IUPACbenzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-4-21(13-17-8-6-5-7-9-17)14-19(22)20-18-12-15(2)10-11-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1
InChIKeyGDXXUFOTGSCTRW-UHFFFAOYSA-O
MW297.42 g/mol
LogP2.35
Rot. Bonds6

About benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium

benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8541334) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
PubChem CID8541334
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Namebenzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-4-21(13-17-8-6-5-7-9-17)14-19(22)20-18-12-15(2)10-11-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1
InChIKeyGDXXUFOTGSCTRW-UHFFFAOYSA-O
XLogP2.35
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
CID 8547549
(2S)-2-benzyl-4-(2,5-dimethylanilino)-4-oxobutanoic acid
CID 683517
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium (CID 8541334) is benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is GDXXUFOTGSCTRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-4-21(13-17-8-6-5-7-9-17)14-19(22)20-18-12-15(2)10-11-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)/p+1.
What are the key properties of benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium?
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 297.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8541334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).