1-(azetidin-3-ylmethyl)-3-benzylurea

C12H17N3O — CID 117235420

IUPAC1-(azetidin-3-ylmethyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC1CNC1
InChIInChI=1S/C12H17N3O/c16-12(15-9-11-6-13-7-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H2,14,15,16)
InChIKeyXTPOKTMPJSKZSQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.71
Rot. Bonds4

About 1-(azetidin-3-ylmethyl)-3-benzylurea

1-(azetidin-3-ylmethyl)-3-benzylurea (PubChem CID 117235420) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-benzylurea.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-benzylurea
PubChem CID117235420
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(azetidin-3-ylmethyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC1CNC1
InChIInChI=1S/C12H17N3O/c16-12(15-9-11-6-13-7-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H2,14,15,16)
InChIKeyXTPOKTMPJSKZSQ-UHFFFAOYSA-N
XLogP0.71
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-3-ylmethyl)-3-benzylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-ylmethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235629
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
CID 130899357
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
1-benzyl-3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]urea
CID 110748196
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
CID 166182609
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-benzylurea?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-benzylurea (CID 117235420) is 1-(azetidin-3-ylmethyl)-3-benzylurea.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-benzylurea?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-benzylurea is O=C(NCc1ccccc1)NCC1CNC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-benzylurea?
The InChIKey is XTPOKTMPJSKZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(15-9-11-6-13-7-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H2,14,15,16).
What are the key properties of 1-(azetidin-3-ylmethyl)-3-benzylurea?
1-(azetidin-3-ylmethyl)-3-benzylurea has a molecular weight of 219.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-benzylurea is sourced from PubChem (CID 117235420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).