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Urea, N-cyclohexyl-N'-(4-(2-hydroxy-3-((1-methylpropyl)amino)propoxy)phenyl)-

HCID 217353
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Basic information

CAS
38651-96-6
Standard SMILES
CCC(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChIKey
BYFPZFQUIDVKHC-UHFFFAOYSA-N
Molecular formula
C20H33N3O3
Average molar mass
363.5 g/mol
Monoisotopic mass
363.25219192

Names & identifiers

Preferred name
Urea, N-cyclohexyl-N'-(4-(2-hydroxy-3-((1-methylpropyl)amino)propoxy)phenyl)-
IUPAC
1-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
English name
3-[4-[3-(butan-2-ylamino)-2-hydroxy-propoxy]phenyl]-1-cyclohexyl-urea
Molecular formula
C20H33N3O3
Molecular weight
0

Names & synonyms

BRN 300217338651-96-6N-Cyclohexyl-N'-(4-(2-hydroxy-3-((1-methylpropyl)amino)propoxy)phenyl)ureaUrea, N-cyclohexyl-N'-(4-(2-hydroxy-3-((1-methylpropyl)amino)propoxy)phenyl)-RefChem:388128DTXSID90959492N-(4-{3-[(Butan-2-yl)amino]-2-hydroxypropoxy}phenyl)-N'-cyclohexylcarbamimidic acid3-[4-[3-(butan-2-ylamino)-2-hydroxy-propoxy]phenyl]-1-cyclohexyl-urea

Database identifiers

CAS
38651-96-6
PubChem CID
217353
DTXSID
DTXSID90959492
Nikkaji
J59.449K

Properties

Computed structural properties

XLogP
3
Topological polar surface area
82.6 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
394

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Compound notes

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