[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C19H23N2O2+ — CID 9465682

IUPAC[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-4-5-9-16(14)12-21(3)13-19(23)20-18-11-7-6-10-17(18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyAENMOIJHISTXSA-UHFFFAOYSA-O
MW311.41 g/mol
LogP1.85
Rot. Bonds6

About [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 9465682) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID9465682
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-4-5-9-16(14)12-21(3)13-19(23)20-18-11-7-6-10-17(18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1
InChIKeyAENMOIJHISTXSA-UHFFFAOYSA-O
XLogP1.85
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9254694
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-[(2-methylphenyl)methyl]azanium
CID 8964419
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964600
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
[2-(2-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9223006
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789289
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 2082606
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045973

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 9465682) is [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is CC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is AENMOIJHISTXSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-4-5-9-16(14)12-21(3)13-19(23)20-18-11-7-6-10-17(18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 311.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 9465682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).