[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium

C21H28ClN2O4+ — CID 8916175

IUPAC[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
SMILESCOc1cc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-24(2)17(15-8-6-7-9-16(15)22)13-23-20(25)12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-11,17H,12-13H2,1-5H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyVUCPFXYWUAAEQW-QGZVFWFLSA-O
MW407.92 g/mol
LogP1.91
Rot. Bonds9

About [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium

[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium (PubChem CID 8916175) has the molecular formula C21H28ClN2O4+ and a molecular weight of 407.92 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
PubChem CID8916175
Molecular FormulaC21H28ClN2O4+
Molecular Weight407.92 g/mol
Exact Mass407.17
IUPAC Name[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
SMILESCOc1cc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-24(2)17(15-8-6-7-9-16(15)22)13-23-20(25)12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-11,17H,12-13H2,1-5H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyVUCPFXYWUAAEQW-QGZVFWFLSA-O
XLogP1.91
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium 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

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8916173
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916186
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42883568
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796400
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 2434345
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium (CID 8916175) is [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium is COc1cc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OC.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium?
The InChIKey is VUCPFXYWUAAEQW-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H27ClN2O4/c1-24(2)17(15-8-6-7-9-16(15)22)13-23-20(25)12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-11,17H,12-13H2,1-5H3,(H,23,25)/p+1/t17-/m1/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium?
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium has a molecular weight of 407.92 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8916175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).