Basic information
- Standard SMILES
CC(C)CN(Cc1ccc2c(c1)OCCCC2)C(=O)C1CNCCO1- InChIKey
WYSLIYCUTYTYBR-UHFFFAOYSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.22564282
Names & identifiers
- Preferred name
- N-(2-methylpropyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-8-ylmethyl)morpholine-2-carboxamide
- IUPAC
- N-(2-methylpropyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-8-ylmethyl)morpholine-2-carboxamide
Database identifiers
- PubChem CID
- 60209727
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
1 records
Compound notes
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