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

C19H21NO4 — CID 17191288

IUPACmethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
SMILESCCOc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-16-9-6-14(7-10-16)11-18(21)20-17-12-15(19(22)23-3)8-5-13(17)2/h5-10,12H,4,11H2,1-3H3,(H,20,21)
InChIKeyGOBARPSZIRDIPV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds6

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

methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate (PubChem CID 17191288) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
PubChem CID17191288
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
SMILESCCOc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-16-9-6-14(7-10-16)11-18(21)20-17-12-15(19(22)23-3)8-5-13(17)2/h5-10,12H,4,11H2,1-3H3,(H,20,21)
InChIKeyGOBARPSZIRDIPV-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 8920139
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
methyl 4-methyl-3-[(2-pyrimidin-5-ylacetyl)amino]benzoate
CID 100676741
methyl 3-[[2-[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]-4-methylbenzoate
CID 55925804
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 1318300
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate (CID 17191288) is methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate is CCOc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2C)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate?
The InChIKey is GOBARPSZIRDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-16-9-6-14(7-10-16)11-18(21)20-17-12-15(19(22)23-3)8-5-13(17)2/h5-10,12H,4,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.36, 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]-4-methylbenzoate is sourced from PubChem (CID 17191288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).