5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C18H27NO3 — CID 43859631

IUPAC5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1
InChIInChI=1S/C18H27NO3/c1-9(2)18-14-12-8-11(15(20)16(12)22-18)13(14)17(21)19(18)10-6-4-3-5-7-10/h9-16,20H,3-8H2,1-2H3
InChIKeyPHYFXEPPBQGSKY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds2

About 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859631) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859631
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1
InChIInChI=1S/C18H27NO3/c1-9(2)18-14-12-8-11(15(20)16(12)22-18)13(14)17(21)19(18)10-6-4-3-5-7-10/h9-16,20H,3-8H2,1-2H3
InChIKeyPHYFXEPPBQGSKY-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859631) is 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is PHYFXEPPBQGSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-9(2)18-14-12-8-11(15(20)16(12)22-18)13(14)17(21)19(18)10-6-4-3-5-7-10/h9-16,20H,3-8H2,1-2H3.
What are the key properties of 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 305.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).