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

C20H23NO3 — CID 100658596

IUPACethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-4-15-6-8-16(9-7-15)13-19(22)21-18-11-10-17(12-14(18)3)20(23)24-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyPVZOZZIDKUZVHQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.92
Rot. Bonds6

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

ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate (PubChem CID 100658596) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
PubChem CID100658596
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-4-15-6-8-16(9-7-15)13-19(22)21-18-11-10-17(12-14(18)3)20(23)24-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChIKeyPVZOZZIDKUZVHQ-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
CID 100608391
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
ethyl 4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 100591857
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
ethyl 4-(3-methoxypropylcarbamothioylamino)-3-methylbenzoate
CID 100584212

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate (CID 100658596) is ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)Cc2ccc(CC)cc2)c(C)c1.
What is the InChIKey of ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate?
The InChIKey is PVZOZZIDKUZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-15-6-8-16(9-7-15)13-19(22)21-18-11-10-17(12-14(18)3)20(23)24-5-2/h6-12H,4-5,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate?
ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate is sourced from PubChem (CID 100658596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).