Basic information
- CAS
5819-87-4- Standard SMILES
CCCCCCCCOc1ccc(N)cc1CNC(N)=O- InChIKey
GWBCITLVTFCWIF-UHFFFAOYSA-N- Molecular formula
- C16H27N3O2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.21032711
Names & identifiers
- Preferred name
- Urea, (5-amino-2-(octyloxy)benzyl)-
- IUPAC
- (5-amino-2-octoxyphenyl)methylurea
Names & synonyms
Urea, (5-amino-2-(octyloxy)benzyl)-5819-87-4(5-Amino-2-(octyloxy)benzyl)ureaM & B 7779BRN 2759257DTXSID30206932RefChem:387119DTXCID60129423(5-amino-2-octoxyphenyl)methylurea1-(5-Amino-2-(octyloxy)benzyl)ureastarbld0047879orb1985219
Show more names
AKOS040754306N-{[5-Amino-2-(octyloxy)phenyl]methyl}ureaT35001
Database identifiers
- CAS
5819-87-4- PubChem CID
- 201351
- DTXSID
DTXSID30206932
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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