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

C19H21ClN2O4 — CID 9252455

IUPACmethyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-12-26-15-9-7-14(20)8-10-15)13-18(23)21-17-6-4-3-5-16(17)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyLUCQHQREXQKXCC-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.08
Rot. Bonds8

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

methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate (PubChem CID 9252455) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
PubChem CID9252455
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Namemethyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-12-26-15-9-7-14(20)8-10-15)13-18(23)21-17-6-4-3-5-16(17)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyLUCQHQREXQKXCC-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

methyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 40710844
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 46801872
methyl 2-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108795775
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate (CID 9252455) is methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
The InChIKey is LUCQHQREXQKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-22(11-12-26-15-9-7-14(20)8-10-15)13-18(23)21-17-6-4-3-5-16(17)19(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate?
methyl 2-[[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 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 9252455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).