methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate

C25H23NO7 — CID 29405129

IUPACmethyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C25H23NO7/c1-30-22-8-4-7-20(14-22)26-23(27)16-32-21-11-9-18(10-12-21)25(29)33-15-17-5-3-6-19(13-17)24(28)31-2/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyLELCTQFERMVGFA-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.86
Rot. Bonds9

About methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate

methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate (PubChem CID 29405129) has the molecular formula C25H23NO7 and a molecular weight of 449.46 g/mol. Its IUPAC name is methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
PubChem CID29405129
Molecular FormulaC25H23NO7
Molecular Weight449.46 g/mol
Exact Mass449.15
IUPAC Namemethyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1
InChIInChI=1S/C25H23NO7/c1-30-22-8-4-7-20(14-22)26-23(27)16-32-21-11-9-18(10-12-21)25(29)33-15-17-5-3-6-19(13-17)24(28)31-2/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyLELCTQFERMVGFA-UHFFFAOYSA-N
XLogP3.86
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate with MolForge

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Related Compounds

(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538887
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 29169567
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538908
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate (CID 29405129) is methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1.
What is the InChIKey of methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate?
The InChIKey is LELCTQFERMVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO7/c1-30-22-8-4-7-20(14-22)26-23(27)16-32-21-11-9-18(10-12-21)25(29)33-15-17-5-3-6-19(13-17)24(28)31-2/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate?
methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate has a molecular weight of 449.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate is sourced from PubChem (CID 29405129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).