methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate

C19H21NO4 — CID 19225981

IUPACmethyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-15-11-8-14(9-12-15)10-13-18(21)20-17-7-5-4-6-16(17)19(22)23-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,21)
InChIKeyDLNPCWKLHZDEPZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds7

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

methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate (PubChem CID 19225981) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
PubChem CID19225981
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-15-11-8-14(9-12-15)10-13-18(21)20-17-7-5-4-6-16(17)19(22)23-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,21)
InChIKeyDLNPCWKLHZDEPZ-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108795775
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
CID 163216114
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate (CID 19225981) is methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate is CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate?
The InChIKey is DLNPCWKLHZDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-15-11-8-14(9-12-15)10-13-18(21)20-17-7-5-4-6-16(17)19(22)23-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate?
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 19225981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).