benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

C20H27N2O+ — CID 8541329

IUPACbenzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-22(14-17-10-6-5-7-11-17)15-20(23)21-19-13-9-8-12-18(19)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)/p+1
InChIKeyOFZWLVXYGMTDPP-UHFFFAOYSA-O
MW311.45 g/mol
LogP2.85
Rot. Bonds7

About benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (PubChem CID 8541329) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
PubChem CID8541329
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Namebenzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-4-22(14-17-10-6-5-7-11-17)15-20(23)21-19-13-9-8-12-18(19)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)/p+1
InChIKeyOFZWLVXYGMTDPP-UHFFFAOYSA-O
XLogP2.85
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
N-(2-propan-2-ylphenyl)propanamide
CID 723442
ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906119
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9251263
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
CID 8547549

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (CID 8541329) is benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
The InChIKey is OFZWLVXYGMTDPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-4-22(14-17-10-6-5-7-11-17)15-20(23)21-19-13-9-8-12-18(19)16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)/p+1.
What are the key properties of benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium has a molecular weight of 311.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 8541329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).