Basic information
- Standard SMILES
COC(=O)c1cccc(Nc2cccc(OCCN3CCOCC3)c2)c1C(=O)OC- InChIKey
ITECIRMFZYCFRG-UHFFFAOYSA-N- Molecular formula
- C22H26N2O6
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.17908655
Names & identifiers
- Preferred name
- 3-[3-(2-Morpholin-4-yl-ethoxy)-phenylamino]-phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL1963157ITECIRMFZYCFRG-UHFFFAOYSA-N3-[3-(2-Morpholin-4-yl-ethoxy)-phenylamino]-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 58307153
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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