methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate

C19H22N2O3 — CID 24662266

IUPACmethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
SMILESCCc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2C)c1
InChIInChI=1S/C19H22N2O3/c1-4-14-6-5-7-16(11-14)21-18(22)12-20-17-9-8-15(10-13(17)2)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyFVOZWVWNKBQRGS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds6

About methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate

methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate (PubChem CID 24662266) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
PubChem CID24662266
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
SMILESCCc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2C)c1
InChIInChI=1S/C19H22N2O3/c1-4-14-6-5-7-16(11-14)21-18(22)12-20-17-9-8-15(10-13(17)2)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22)
InChIKeyFVOZWVWNKBQRGS-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
methyl 3-methyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 24662260
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543572
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate
CID 31418743
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate (CID 24662266) is methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate is CCc1cccc(NC(=O)CNc2ccc(C(=O)OC)cc2C)c1.
What is the InChIKey of methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate?
The InChIKey is FVOZWVWNKBQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-14-6-5-7-16(11-14)21-18(22)12-20-17-9-8-15(10-13(17)2)19(23)24-3/h5-11,20H,4,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate?
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate has a molecular weight of 326.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate is sourced from PubChem (CID 24662266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).