1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea

C10H18N2O2 — CID 115624335

IUPAC1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCC2)COC1
InChIInChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-11-9(13)12-8-3-2-4-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyXQWQZELRBYMIID-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.87
Rot. Bonds3

About 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea

1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 115624335) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID115624335
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CCC2)COC1
InChIInChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-11-9(13)12-8-3-2-4-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyXQWQZELRBYMIID-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
1-[(3-methyloxetan-3-yl)methyl]-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
CID 138049629
1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826643
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea (CID 115624335) is 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea is CC1(CNC(=O)NC2CCC2)COC1.
What is the InChIKey of 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is XQWQZELRBYMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-11-9(13)12-8-3-2-4-8/h8H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea?
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 198.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 115624335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).