2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

C26H27NO8 — CID 25441229

IUPAC2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO8/c1-30-19-9-11-20(12-10-19)33-14-15-34-26(29)18-8-13-23(24(16-18)32-3)35-17-25(28)27-21-6-4-5-7-22(21)31-2/h4-13,16H,14-15,17H2,1-3H3,(H,27,28)
InChIKeyVUCPJVDUIUZAAP-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.97
Rot. Bonds12

About 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 25441229) has the molecular formula C26H27NO8 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID25441229
Molecular FormulaC26H27NO8
Molecular Weight481.50 g/mol
Exact Mass481.17
IUPAC Name2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1
InChIInChI=1S/C26H27NO8/c1-30-19-9-11-20(12-10-19)33-14-15-34-26(29)18-8-13-23(24(16-18)32-3)35-17-25(28)27-21-6-4-5-7-22(21)31-2/h4-13,16H,14-15,17H2,1-3H3,(H,27,28)
InChIKeyVUCPJVDUIUZAAP-UHFFFAOYSA-N
XLogP3.97
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 42965688
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
(2-cyanophenyl)methyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 27917519
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 55308668

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (CID 25441229) is 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is COc1ccc(OCCOC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is VUCPJVDUIUZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO8/c1-30-19-9-11-20(12-10-19)33-14-15-34-26(29)18-8-13-23(24(16-18)32-3)35-17-25(28)27-21-6-4-5-7-22(21)31-2/h4-13,16H,14-15,17H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 481.50 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 25441229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).