1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea

C12H17N3O2 — CID 66187335

IUPAC1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)C2CNC2)c1
InChIInChI=1S/C12H17N3O2/c1-15(10-7-13-8-10)12(16)14-9-4-3-5-11(6-9)17-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyJVFLQXUADQJLQR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.13
Rot. Bonds3

About 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea

1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 66187335) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
PubChem CID66187335
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)C2CNC2)c1
InChIInChI=1S/C12H17N3O2/c1-15(10-7-13-8-10)12(16)14-9-4-3-5-11(6-9)17-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyJVFLQXUADQJLQR-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
CID 66213856
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
1-(1,1-dioxothian-4-yl)-3-[3-(3-methoxyphenyl)phenyl]-1-methylurea
CID 118793325
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
CID 139029366
2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142445
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 43596031
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea (CID 66187335) is 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)C2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is JVFLQXUADQJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(10-7-13-8-10)12(16)14-9-4-3-5-11(6-9)17-2/h3-6,10,13H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea?
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 235.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 66187335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).