9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C22H21NO3 — CID 43859638

IUPAC9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccccc1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C22H21NO3/c1-12-7-5-6-10-16(12)23-21(25)17-14-11-15-18(17)22(23,26-20(15)19(14)24)13-8-3-2-4-9-13/h2-10,14-15,17-20,24H,11H2,1H3
InChIKeyOWZASVKMEWAKSA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.84
Rot. Bonds2

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

9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859638) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859638
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccccc1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C22H21NO3/c1-12-7-5-6-10-16(12)23-21(25)17-14-11-15-18(17)22(23,26-20(15)19(14)24)13-8-3-2-4-9-13/h2-10,14-15,17-20,24H,11H2,1H3
InChIKeyOWZASVKMEWAKSA-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859638) is 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is Cc1ccccc1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O.
What is the InChIKey of 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is OWZASVKMEWAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-12-7-5-6-10-16(12)23-21(25)17-14-11-15-18(17)22(23,26-20(15)19(14)24)13-8-3-2-4-9-13/h2-10,14-15,17-20,24H,11H2,1H3.
What are the key properties of 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 347.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-(2-methylphenyl)-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).