Basic information
- Standard SMILES
COC(=O)c1ccc(N(CCN(C)C)C(=O)OC(C)(C)C)cc1- InChIKey
AGWNDDGDZZFXED-UHFFFAOYSA-N- Molecular formula
- C17H26N2O4
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[2-dimethylaminoethyl-[tert-butoxycarbonyl]amino]benzoate
- IUPAC
- methyl 4-[2-(dimethylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate
Names & synonyms
SCHEMBL64028AGWNDDGDZZFXED-UHFFFAOYSA-Nmethyl 4-[2-dimethylaminoethyl-[tert-butoxycarbonyl]amino]benzoate
Database identifiers
- PubChem CID
- 57440397
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
Loading…