1-benzyl-3-(3-hydroxypropyl)urea

C11H16N2O2 — CID 11298735

IUPAC1-benzyl-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c14-8-4-7-12-11(15)13-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,12,13,15)
InChIKeyCSGRKNXFBXXDQK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.87
Rot. Bonds5

About 1-benzyl-3-(3-hydroxypropyl)urea

1-benzyl-3-(3-hydroxypropyl)urea (PubChem CID 11298735) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzyl-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-hydroxypropyl)urea
PubChem CID11298735
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-benzyl-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c14-8-4-7-12-11(15)13-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,12,13,15)
InChIKeyCSGRKNXFBXXDQK-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.87
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-(5-hydroxypentyl)urea
CID 108871315
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;dihydrochloride
CID 127052927
5-(benzylcarbamoylamino)pentanamide
CID 106235188
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;hydrochloride
CID 118728395
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
2-(benzylcarbamoylamino)-N-(3-hydroxypropyl)-3-methylbutanamide
CID 78854431
4-(benzylcarbamoylamino)butylphosphonic acid
CID 167094446
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
4-(hydroxymethyl)-N-[[4-[(3-hydroxypropylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 102124965
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
1-[(4-bromophenyl)methyl]-3-(5-hydroxypentyl)urea
CID 108899482
3-(benzylcarbamoylamino)propyl dihydrogen phosphate
CID 153200062

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-benzyl-3-(3-hydroxypropyl)urea (CID 11298735) is 1-benzyl-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-benzyl-3-(3-hydroxypropyl)urea is O=C(NCCCO)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-hydroxypropyl)urea?
The InChIKey is CSGRKNXFBXXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-4-7-12-11(15)13-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,12,13,15).
What are the key properties of 1-benzyl-3-(3-hydroxypropyl)urea?
1-benzyl-3-(3-hydroxypropyl)urea has a molecular weight of 208.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 11298735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).