1-benzyl-3-(5-hydroxypentyl)urea

C13H20N2O2 — CID 108871315

IUPAC1-benzyl-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c16-10-6-2-5-9-14-13(17)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,16H,2,5-6,9-11H2,(H2,14,15,17)
InChIKeyFRZQBQURUCCCPN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds7

About 1-benzyl-3-(5-hydroxypentyl)urea

1-benzyl-3-(5-hydroxypentyl)urea (PubChem CID 108871315) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-benzyl-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-hydroxypentyl)urea
PubChem CID108871315
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-benzyl-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c16-10-6-2-5-9-14-13(17)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,16H,2,5-6,9-11H2,(H2,14,15,17)
InChIKeyFRZQBQURUCCCPN-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;dihydrochloride
CID 127052927
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;hydrochloride
CID 118728395
1-[(4-bromophenyl)methyl]-3-(5-hydroxypentyl)urea
CID 108899482
5-(benzylcarbamoylamino)pentanamide
CID 106235188
4-(benzylcarbamoylamino)butylphosphonic acid
CID 167094446
1-benzyl-3-(4-isothiocyanatobutyl)urea
CID 155519311
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
3-(benzylcarbamoylamino)propyl dihydrogen phosphate
CID 153200062

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-benzyl-3-(5-hydroxypentyl)urea (CID 108871315) is 1-benzyl-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-benzyl-3-(5-hydroxypentyl)urea is O=C(NCCCCCO)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(5-hydroxypentyl)urea?
The InChIKey is FRZQBQURUCCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-10-6-2-5-9-14-13(17)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,16H,2,5-6,9-11H2,(H2,14,15,17).
What are the key properties of 1-benzyl-3-(5-hydroxypentyl)urea?
1-benzyl-3-(5-hydroxypentyl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 108871315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).