Basic information
- Standard SMILES
COC(=O)c1cccc(NCc2ccc(C)o2)c1C(=O)OC- InChIKey
MXCNHFLOUDDSCQ-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
Names & identifiers
- Preferred name
- 3-[(5-Methyl-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-[(5-methylfuran-2-yl)methylamino]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL2384943MXCNHFLOUDDSCQ-UHFFFAOYSA-N3-[(5-Methyl-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 21040129
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
3 records
Compound notes
Loading…