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

C20H23NO3 — CID 100545556

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

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

ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate (PubChem CID 100545556) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
PubChem CID100545556
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(CC)cc2)c1
InChIInChI=1S/C20H23NO3/c1-4-15-7-9-16(10-8-15)12-19(22)21-18-13-17(11-6-14(18)3)20(23)24-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyNWVQHYGFMMZJLI-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 4-[[2-(4-ethylphenyl)acetyl]amino]-3-methylbenzoate
CID 100658596
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
(3-ethoxycarbonylphenyl)methyl 4-methyl-3-(propanoylamino)benzoate
CID 1218695
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258
ethyl 4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylbenzoate
CID 100608391
ethyl 3-(tert-butylcarbamothioylamino)-4-methylbenzoate
CID 100582113
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
methyl 4-methyl-3-[(2-pyrimidin-5-ylacetyl)amino]benzoate
CID 100676741
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate?
The IUPAC name of ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate (CID 100545556) is ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate is CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(CC)cc2)c1.
What is the InChIKey of ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate?
The InChIKey is NWVQHYGFMMZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-15-7-9-16(10-8-15)12-19(22)21-18-13-17(11-6-14(18)3)20(23)24-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate?
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-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 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 100545556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).