methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate

C19H21ClN2O4 — CID 27250238

IUPACmethyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-12-26-17-9-5-15(20)6-10-17)13-18(23)21-16-7-3-14(4-8-16)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyROTKHMCQMLEZQI-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.08
Rot. Bonds8

About methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate

methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate (PubChem CID 27250238) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
PubChem CID27250238
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-12-26-17-9-5-15(20)6-10-17)13-18(23)21-16-7-3-14(4-8-16)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyROTKHMCQMLEZQI-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate (CID 27250238) is methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The InChIKey is ROTKHMCQMLEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-22(11-12-26-17-9-5-15(20)6-10-17)13-18(23)21-16-7-3-14(4-8-16)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate has a molecular weight of 376.84 g/mol, XLogP of 3.08, 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-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 27250238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).