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

C18H20N2O4 — CID 17425229

IUPACmethyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12-8-9-13(18(22)24-3)10-15(12)19-11-17(21)20-14-6-4-5-7-16(14)23-2/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyFACLOUOFIBWXRF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.84
Rot. Bonds6

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

methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate (PubChem CID 17425229) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
PubChem CID17425229
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12-8-9-13(18(22)24-3)10-15(12)19-11-17(21)20-14-6-4-5-7-16(14)23-2/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyFACLOUOFIBWXRF-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 9099944
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate (CID 17425229) is methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate?
The InChIKey is FACLOUOFIBWXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-8-9-13(18(22)24-3)10-15(12)19-11-17(21)20-14-6-4-5-7-16(14)23-2/h4-10,19H,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate?
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate has a molecular weight of 328.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate is sourced from PubChem (CID 17425229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).