methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate

C19H21NO7 — CID 2495618

IUPACmethyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO7/c1-23-15-9-13(10-16(24-2)18(15)25-3)20-17(21)11-27-14-7-5-12(6-8-14)19(22)26-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyMQYWADUIECHHDT-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.52
Rot. Bonds8

About methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate

methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate (PubChem CID 2495618) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
PubChem CID2495618
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Namemethyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO7/c1-23-15-9-13(10-16(24-2)18(15)25-3)20-17(21)11-27-14-7-5-12(6-8-14)19(22)26-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyMQYWADUIECHHDT-UHFFFAOYSA-N
XLogP2.52
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26216294
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
CID 7667527
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate (CID 2495618) is methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate is COC(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate?
The InChIKey is MQYWADUIECHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-23-15-9-13(10-16(24-2)18(15)25-3)20-17(21)11-27-14-7-5-12(6-8-14)19(22)26-4/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate?
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate has a molecular weight of 375.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate is sourced from PubChem (CID 2495618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).