[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

C23H32N3O4+ — CID 9221875

IUPAC[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1cccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2c(C)cccc2C)c1OC
InChIInChI=1S/C23H31N3O4/c1-16-9-7-10-17(2)22(16)24-20(27)14-25(3)15-21(28)26(4)13-18-11-8-12-19(29-5)23(18)30-6/h7-12H,13-15H2,1-6H3,(H,24,27)/p+1
InChIKeyPEGQXPGCJGZTDE-UHFFFAOYSA-O
MW414.53 g/mol
LogP1.43
Rot. Bonds9

About [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9221875) has the molecular formula C23H32N3O4+ and a molecular weight of 414.53 g/mol. Its IUPAC name is [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9221875
Molecular FormulaC23H32N3O4+
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1cccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2c(C)cccc2C)c1OC
InChIInChI=1S/C23H31N3O4/c1-16-9-7-10-17(2)22(16)24-20(27)14-25(3)15-21(28)26(4)13-18-11-8-12-19(29-5)23(18)30-6/h7-12H,13-15H2,1-6H3,(H,24,27)/p+1
InChIKeyPEGQXPGCJGZTDE-UHFFFAOYSA-O
XLogP1.43
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221876
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124286
(2,3-dimethoxyphenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium
CID 8709146
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914243
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9221875) is [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is COc1cccc(CN(C)C(=O)C[NH+](C)CC(=O)Nc2c(C)cccc2C)c1OC.
What is the InChIKey of [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is PEGQXPGCJGZTDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N3O4/c1-16-9-7-10-17(2)22(16)24-20(27)14-25(3)15-21(28)26(4)13-18-11-8-12-19(29-5)23(18)30-6/h7-12H,13-15H2,1-6H3,(H,24,27)/p+1.
What are the key properties of [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 414.53 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9221875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).