ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate

C20H23NO4 — CID 100591736

IUPACethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)16-8-11-18(14(2)13-16)21-19(22)12-7-15-5-9-17(24-3)10-6-15/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,21,22)
InChIKeyOUJUZZWZIKRXMP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.75
Rot. Bonds7

About ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate

ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate (PubChem CID 100591736) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
PubChem CID100591736
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)16-8-11-18(14(2)13-16)21-19(22)12-7-15-5-9-17(24-3)10-6-15/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,21,22)
InChIKeyOUJUZZWZIKRXMP-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
ethyl 4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 100591857
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
CID 100608391
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908
ethyl 4-[1-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 133215252
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate (CID 100591736) is ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The InChIKey is OUJUZZWZIKRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-20(23)16-8-11-18(14(2)13-16)21-19(22)12-7-15-5-9-17(24-3)10-6-15/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate is sourced from PubChem (CID 100591736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).