methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate

C21H26N2O4 — CID 55831904

IUPACmethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O4/c1-15-6-5-7-19(16(15)2)22-20(24)14-23(3)12-13-27-18-10-8-17(9-11-18)21(25)26-4/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyKYLRADJZWVIBOB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.04
Rot. Bonds8

About methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate

methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate (PubChem CID 55831904) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
PubChem CID55831904
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O4/c1-15-6-5-7-19(16(15)2)22-20(24)14-23(3)12-13-27-18-10-8-17(9-11-18)21(25)26-4/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyKYLRADJZWVIBOB-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9287622
N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203177
methyl 4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzoate
CID 8503568
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
CID 35986892
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate (CID 55831904) is methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate is COC(=O)c1ccc(OCCN(C)CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate?
The InChIKey is KYLRADJZWVIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-6-5-7-19(16(15)2)22-20(24)14-23(3)12-13-27-18-10-8-17(9-11-18)21(25)26-4/h5-11H,12-14H2,1-4H3,(H,22,24).
What are the key properties of methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate?
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate is sourced from PubChem (CID 55831904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).