[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

C20H27N2O+ — CID 9045226

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C20H26N2O/c1-14-9-10-18(17(4)11-14)12-22(5)13-19(23)21-20-15(2)7-6-8-16(20)3/h6-11H,12-13H2,1-5H3,(H,21,23)/p+1
InChIKeyNXCGSHXOJVXPIA-UHFFFAOYSA-O
MW311.45 g/mol
LogP2.57
Rot. Bonds5

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (PubChem CID 9045226) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
PubChem CID9045226
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C20H26N2O/c1-14-9-10-18(17(4)11-14)12-22(5)13-19(23)21-20-15(2)7-6-8-16(20)3/h6-11H,12-13H2,1-5H3,(H,21,23)/p+1
InChIKeyNXCGSHXOJVXPIA-UHFFFAOYSA-O
XLogP2.57
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8695667
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964600
(2-cyanophenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622124
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045712
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045154
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 17456120
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (CID 9045226) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is Cc1ccc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The InChIKey is NXCGSHXOJVXPIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-14-9-10-18(17(4)11-14)12-22(5)13-19(23)21-20-15(2)7-6-8-16(20)3/h6-11H,12-13H2,1-5H3,(H,21,23)/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium has a molecular weight of 311.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 9045226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).