1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C13H22N2O2 — CID 84587275

IUPAC1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCN(CC1CCC1)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c1-15(8-9-3-2-4-9)13(16)14-11-7-10-5-6-12(11)17-10/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyKXIOYODWONXTCW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds3

About 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 84587275) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID84587275
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCN(CC1CCC1)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c1-15(8-9-3-2-4-9)13(16)14-11-7-10-5-6-12(11)17-10/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyKXIOYODWONXTCW-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 84587275) is 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CN(CC1CCC1)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is KXIOYODWONXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(8-9-3-2-4-9)13(16)14-11-7-10-5-6-12(11)17-10/h9-12H,2-8H2,1H3,(H,14,16).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 84587275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).