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

C21H24N2O6 — CID 8807995

IUPACmethyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C21H24N2O6/c1-4-14-7-5-6-8-16(14)23-19(24)12-22-20(25)13-29-17-10-9-15(21(26)28-3)11-18(17)27-2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVJDSZAMMZSGCCO-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.18
Rot. Bonds9

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

methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate (PubChem CID 8807995) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
PubChem CID8807995
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namemethyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C21H24N2O6/c1-4-14-7-5-6-8-16(14)23-19(24)12-22-20(25)13-29-17-10-9-15(21(26)28-3)11-18(17)27-2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVJDSZAMMZSGCCO-UHFFFAOYSA-N
XLogP2.18
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate with MolForge

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Related Compounds

methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 34648970
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 112996058
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387148

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate (CID 8807995) is methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate is CCc1ccccc1NC(=O)CNC(=O)COc1ccc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate?
The InChIKey is VJDSZAMMZSGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-4-14-7-5-6-8-16(14)23-19(24)12-22-20(25)13-29-17-10-9-15(21(26)28-3)11-18(17)27-2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate?
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate has a molecular weight of 400.43 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate is sourced from PubChem (CID 8807995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).