5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C17H25NO3 — CID 43859613

IUPAC5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-2-17-13-11-8-10(14(19)15(11)21-17)12(13)16(20)18(17)9-6-4-3-5-7-9/h9-15,19H,2-8H2,1H3
InChIKeyGRQDDABCUCEXTL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.91
Rot. Bonds2

About 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859613) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859613
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-2-17-13-11-8-10(14(19)15(11)21-17)12(13)16(20)18(17)9-6-4-3-5-7-9/h9-15,19H,2-8H2,1H3
InChIKeyGRQDDABCUCEXTL-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859613) is 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CCC12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is GRQDDABCUCEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-17-13-11-8-10(14(19)15(11)21-17)12(13)16(20)18(17)9-6-4-3-5-7-9/h9-15,19H,2-8H2,1H3.
What are the key properties of 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).