Basic information
- CAS
39617-74-8- Standard SMILES
CCCCNC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1- InChIKey
PJWYGCSRBKHVRE-UHFFFAOYSA-N- Molecular formula
- C17H29N3O3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.2208918
Names & identifiers
- Preferred name
- Urea, N-butyl-N'-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-
- IUPAC
- 1-butyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea
- English name
- N-Butyl-N'-[4-[2-hydroxy-3-(1-methylethylamino)propoxy]phenyl]urea
- Molecular formula
- C17H29N3O3
- Molecular weight
- 323.43
Names & synonyms
39617-74-8BRN 2149808N-Butyl-N'-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)ureaUrea, N-butyl-N'-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-RefChem:388118CHEMBL3247840DTXSID70960223N'-Butyl-N-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)carbamimidic acidN-Butyl-N'-[4-[2-hydroxy-3-(1-methylethylamino)propoxy]phenyl]ureaUrea, N-butyl-N'-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-
Database identifiers
- CAS
39617-74-8- PubChem CID
- 217784
- DTXSID
DTXSID70960223- ChEMBL
CHEMBL3247840- Nikkaji
- J58.084H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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