Urea, N-cyclohexyl-N'-(4-(3-(cyclopentylamino)-2-hydroxypropoxy)phenyl)-
Basic information
- CAS
38651-99-9- Standard SMILES
O=C(Nc1ccc(OCC(O)CNC2CCCC2)cc1)NC1CCCCC1- InChIKey
NYYSFOJJGVOLRP-UHFFFAOYSA-N- Molecular formula
- C21H33N3O3
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.25219192
Names & identifiers
- Preferred name
- Urea, N-cyclohexyl-N'-(4-(3-(cyclopentylamino)-2-hydroxypropoxy)phenyl)-
- IUPAC
- 1-cyclohexyl-3-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]urea
Names & synonyms
BRN 295211538651-99-9N-Cyclohexyl-N'-(4-(3-(cyclopentylamino)-2-hydroxypropoxy)phenyl)ureaUrea, N-cyclohexyl-N'-(4-(3-(cyclopentylamino)-2-hydroxypropoxy)phenyl)-RefChem:388131DTXSID50959493N'-Cyclohexyl-N-{4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl}carbamimidic acid
Database identifiers
- CAS
38651-99-9- PubChem CID
- 217355
- DTXSID
DTXSID50959493- Nikkaji
- J59.442C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 428
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Compound notes
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