Basic information
- CAS
5952-87-4- Standard SMILES
COCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1ccc(OC)cc1- InChIKey
BUBYKUREEHATMH-UHFFFAOYSA-N- Molecular formula
- C23H31N3O4
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.23145648
Names & identifiers
- Preferred name
- N-(2-{Cyclopropyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(3-methoxypropyl)benzamide
- IUPAC
- N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
Names & synonyms
5952-87-4DTXSID20410384N-(2-{Cyclopropyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(3-methoxypropyl)benzamide
Database identifiers
- CAS
5952-87-4- PubChem CID
- 5212751
- DTXSID
DTXSID20410384
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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