5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione

C21H23NO3 — CID 66486445

IUPAC5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
SMILESO=C1C2CC3C1OC1(c4ccccc4)C3C2C(=O)N1C1CCCCC1
InChIInChI=1S/C21H23NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,13-17,19H,2,5-6,9-11H2
InChIKeyIIGWDXDNIOGPBM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.86
Rot. Bonds2

About 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione

5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione (PubChem CID 66486445) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione.

Molecular Properties

Compound Name5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
PubChem CID66486445
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
SMILESO=C1C2CC3C1OC1(c4ccccc4)C3C2C(=O)N1C1CCCCC1
InChIInChI=1S/C21H23NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,13-17,19H,2,5-6,9-11H2
InChIKeyIIGWDXDNIOGPBM-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The IUPAC name of 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione (CID 66486445) is 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione.
What is the SMILES notation for 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The canonical SMILES for 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione is O=C1C2CC3C1OC1(c4ccccc4)C3C2C(=O)N1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The InChIKey is IIGWDXDNIOGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,13-17,19H,2,5-6,9-11H2.
What are the key properties of 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione has a molecular weight of 337.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione is sourced from PubChem (CID 66486445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).