methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate

C19H21NO5 — CID 7840872

IUPACmethyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
SMILESCCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C19H21NO5/c1-4-24-16-7-5-6-8-17(16)25-12-18(21)20-15-11-14(19(22)23-3)10-9-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyZXHUXFAAOCMZDD-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.20
Rot. Bonds7

About methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate

methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate (PubChem CID 7840872) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
PubChem CID7840872
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
SMILESCCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C19H21NO5/c1-4-24-16-7-5-6-8-17(16)25-12-18(21)20-15-11-14(19(22)23-3)10-9-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyZXHUXFAAOCMZDD-UHFFFAOYSA-N
XLogP3.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
N-(5-ethyl-2-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110604050
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
methyl 3-bromo-4-[2-(2-methylanilino)-2-oxoethoxy]benzoate
CID 36531543
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
methyl 3-[3-(ethylamino)propanoylamino]-4-methylbenzoate
CID 62833574
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate (CID 7840872) is methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate is CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The InChIKey is ZXHUXFAAOCMZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-16-7-5-6-8-17(16)25-12-18(21)20-15-11-14(19(22)23-3)10-9-13(15)2/h5-11H,4,12H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate has a molecular weight of 343.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 7840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).