ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate

C20H23NO4 — CID 100608391

IUPACethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)c(C)c1
InChIInChI=1S/C20H23NO4/c1-5-25-20(23)16-7-8-17(13(2)11-16)21-19(22)12-15-6-9-18(24-4)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,21,22)
InChIKeyOSNGPRWAYCISHZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds6

About ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate

ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate (PubChem CID 100608391) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
PubChem CID100608391
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)c(C)c1
InChIInChI=1S/C20H23NO4/c1-5-25-20(23)16-7-8-17(13(2)11-16)21-19(22)12-15-6-9-18(24-4)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,21,22)
InChIKeyOSNGPRWAYCISHZ-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
ethyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methylbenzoate
CID 100591277
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
ethyl 4-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzoate
CID 100747006
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
ethyl 4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 100591857
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
CID 132653607
ethyl 4-cyano-5-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16848206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate (CID 100608391) is ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)c(C)c1.
What is the InChIKey of ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate?
The InChIKey is OSNGPRWAYCISHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-25-20(23)16-7-8-17(13(2)11-16)21-19(22)12-15-6-9-18(24-4)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate?
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate is sourced from PubChem (CID 100608391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).