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

C18H21NO3 — CID 43859635

IUPAC9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C18H21NO3/c1-9(2)19-17(21)13-11-8-12-14(13)18(19,22-16(12)15(11)20)10-6-4-3-5-7-10/h3-7,9,11-16,20H,8H2,1-2H3
InChIKeyJVYHTEOQDUCARK-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.73
Rot. Bonds2

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

9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859635) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859635
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C18H21NO3/c1-9(2)19-17(21)13-11-8-12-14(13)18(19,22-16(12)15(11)20)10-6-4-3-5-7-10/h3-7,9,11-16,20H,8H2,1-2H3
InChIKeyJVYHTEOQDUCARK-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

9-Hydroxy-5-(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859589
5-Benzyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859585
9-Hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859587
9-Hydroxy-5-(3-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859588
5-(2,6-Dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859590
5-Benzyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859600
5-Benzyl-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859618
9-Hydroxy-5-methyl-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859633
5-Ethyl-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859634
5-Benzyl-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859636
9-Hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859637
9-Hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859638

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859635) is 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CC(C)N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O.
What is the InChIKey of 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is JVYHTEOQDUCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-9(2)19-17(21)13-11-8-12-14(13)18(19,22-16(12)15(11)20)10-6-4-3-5-7-10/h3-7,9,11-16,20H,8H2,1-2H3.
What are the key properties of 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 299.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).