1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea

C11H15N3O2 — CID 117235385

IUPAC1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(O)c1)NC1CNC1
InChIInChI=1S/C11H15N3O2/c15-10-3-1-2-8(4-10)5-13-11(16)14-9-6-12-7-9/h1-4,9,12,15H,5-7H2,(H2,13,14,16)
InChIKeyNOYVHCCUARRASL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.16
Rot. Bonds3

About 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea

1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea (PubChem CID 117235385) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
PubChem CID117235385
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(O)c1)NC1CNC1
InChIInChI=1S/C11H15N3O2/c15-10-3-1-2-8(4-10)5-13-11(16)14-9-6-12-7-9/h1-4,9,12,15H,5-7H2,(H2,13,14,16)
InChIKeyNOYVHCCUARRASL-UHFFFAOYSA-N
XLogP0.16
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399479
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
CID 130899357
1-(3-aminopropyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235452
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
1-(3,4-dihydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 71045044

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea (CID 117235385) is 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea is O=C(NCc1cccc(O)c1)NC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea?
The InChIKey is NOYVHCCUARRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-3-1-2-8(4-10)5-13-11(16)14-9-6-12-7-9/h1-4,9,12,15H,5-7H2,(H2,13,14,16).
What are the key properties of 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea?
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea has a molecular weight of 221.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 117235385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).