Basic information
- Standard SMILES
CCOC(=O)c1cc(CCCN(C)C(=O)OC(C)(C)C)cc(C(=O)OCC)c1- InChIKey
VGWOCWYUCGNCDC-UHFFFAOYSA-N- Molecular formula
- C21H31NO6
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 5-(N-methyl-3-tert-butoxycarbonylaminopropyl)-benzene-1,3-dicarboxylic acid diethyl ester
- IUPAC
- diethyl 5-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL1742132VGWOCWYUCGNCDC-UHFFFAOYSA-N5-(N-methyl-3-tert-butoxycarbonylaminopropyl)-benzene-1,3-dicarboxylic acid diethyl ester
Database identifiers
- PubChem CID
- 67144752
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Related reactions
3 records
Compound notes
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