1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C17H28N2O3 — CID 75380025

IUPAC1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC3CCC2O3)C12CCCC2
InChIInChI=1S/C17H28N2O3/c1-2-21-15-10-14(17(15)7-3-4-8-17)19-16(20)18-12-9-11-5-6-13(12)22-11/h11-15H,2-10H2,1H3,(H2,18,19,20)
InChIKeyOCSICXCBZDEYKM-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75380025) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75380025
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC3CCC2O3)C12CCCC2
InChIInChI=1S/C17H28N2O3/c1-2-21-15-10-14(17(15)7-3-4-8-17)19-16(20)18-12-9-11-5-6-13(12)22-11/h11-15H,2-10H2,1H3,(H2,18,19,20)
InChIKeyOCSICXCBZDEYKM-UHFFFAOYSA-N
XLogP2.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75380025) is 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CCOC1CC(NC(=O)NC2CC3CCC2O3)C12CCCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is OCSICXCBZDEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-21-15-10-14(17(15)7-3-4-8-17)19-16(20)18-12-9-11-5-6-13(12)22-11/h11-15H,2-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 308.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75380025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).