benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

C19H23N2O3+ — CID 8541461

IUPACbenzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-21(13-15-9-5-4-6-10-15)14-18(22)20-17-12-8-7-11-16(17)19(23)24-2/h4-12H,3,13-14H2,1-2H3,(H,20,22)/p+1
InChIKeyULEWJZFONWGAMJ-UHFFFAOYSA-O
MW327.40 g/mol
LogP1.52
Rot. Bonds7

About benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (PubChem CID 8541461) has the molecular formula C19H23N2O3+ and a molecular weight of 327.40 g/mol. Its IUPAC name is benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
PubChem CID8541461
Molecular FormulaC19H23N2O3+
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Namebenzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-21(13-15-9-5-4-6-10-15)14-18(22)20-17-12-8-7-11-16(17)19(23)24-2/h4-12H,3,13-14H2,1-2H3,(H,20,22)/p+1
InChIKeyULEWJZFONWGAMJ-UHFFFAOYSA-O
XLogP1.52
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
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-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (CID 8541461) is benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The InChIKey is ULEWJZFONWGAMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O3/c1-3-21(13-15-9-5-4-6-10-15)14-18(22)20-17-12-8-7-11-16(17)19(23)24-2/h4-12H,3,13-14H2,1-2H3,(H,20,22)/p+1.
What are the key properties of benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium has a molecular weight of 327.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8541461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).