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

C15H26N2O2 — CID 75380047

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea
SMILESCCCC1(CNC(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C15H26N2O2/c1-2-6-15(7-3-8-15)10-16-14(18)17-12-9-11-4-5-13(12)19-11/h11-13H,2-10H2,1H3,(H2,16,17,18)
InChIKeyVAGUXVZBNBYJPZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.58
Rot. Bonds5

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

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea (PubChem CID 75380047) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea
PubChem CID75380047
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea
SMILESCCCC1(CNC(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C15H26N2O2/c1-2-6-15(7-3-8-15)10-16-14(18)17-12-9-11-4-5-13(12)19-11/h11-13H,2-10H2,1H3,(H2,16,17,18)
InChIKeyVAGUXVZBNBYJPZ-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea (CID 75380047) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea is CCCC1(CNC(=O)NC2CC3CCC2O3)CCC1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea?
The InChIKey is VAGUXVZBNBYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-6-15(7-3-8-15)10-16-14(18)17-12-9-11-4-5-13(12)19-11/h11-13H,2-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea has a molecular weight of 266.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclobutyl)methyl]urea is sourced from PubChem (CID 75380047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).