methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate

C18H19NO4 — CID 17414832

IUPACmethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
SMILESCCOc1ccc(CC(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-16-9-7-13(8-10-16)11-17(20)19-15-6-4-5-14(12-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyLLZQSVAIYQTJBF-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds6

About methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate

methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate (PubChem CID 17414832) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
PubChem CID17414832
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
SMILESCCOc1ccc(CC(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-16-9-7-13(8-10-16)11-17(20)19-15-6-4-5-14(12-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyLLZQSVAIYQTJBF-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-ethoxyphenyl)methylamino]benzoate
CID 43217515
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
methyl 3-[[3-(4-ethoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969510
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860632
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate (CID 17414832) is methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate is CCOc1ccc(CC(=O)Nc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate?
The InChIKey is LLZQSVAIYQTJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-23-16-9-7-13(8-10-16)11-17(20)19-15-6-4-5-14(12-15)18(21)22-2/h4-10,12H,3,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate?
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 17414832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).