[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

C20H27N2O2+ — CID 2656735

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCCc1cccc(C)c1NC(=O)C[NH+](C)Cc1cccc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-5-17-10-6-8-15(2)20(17)21-19(23)14-22(3)13-16-9-7-11-18(12-16)24-4/h6-12H,5,13-14H2,1-4H3,(H,21,23)/p+1
InChIKeyFVAIDPSLZMSYOU-UHFFFAOYSA-O
MW327.45 g/mol
LogP2.22
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium (PubChem CID 2656735) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
PubChem CID2656735
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCCc1cccc(C)c1NC(=O)C[NH+](C)Cc1cccc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-5-17-10-6-8-15(2)20(17)21-19(23)14-22(3)13-16-9-7-11-18(12-16)24-4/h6-12H,5,13-14H2,1-4H3,(H,21,23)/p+1
InChIKeyFVAIDPSLZMSYOU-UHFFFAOYSA-O
XLogP2.22
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714062
3-(3,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 26687947
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2656717
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8780652
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8794639
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium (CID 2656735) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium is CCc1cccc(C)c1NC(=O)C[NH+](C)Cc1cccc(OC)c1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The InChIKey is FVAIDPSLZMSYOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-5-17-10-6-8-15(2)20(17)21-19(23)14-22(3)13-16-9-7-11-18(12-16)24-4/h6-12H,5,13-14H2,1-4H3,(H,21,23)/p+1.
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium has a molecular weight of 327.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 2656735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).