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

C23H23NO3 — CID 43859641

IUPAC5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1cccc(C)c1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C23H23NO3/c1-12-7-6-8-13(2)19(12)24-22(26)17-15-11-16-18(17)23(24,27-21(16)20(15)25)14-9-4-3-5-10-14/h3-10,15-18,20-21,25H,11H2,1-2H3
InChIKeyCOBARKFIGGPJET-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.14
Rot. Bonds2

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

5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859641) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859641
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1cccc(C)c1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O
InChIInChI=1S/C23H23NO3/c1-12-7-6-8-13(2)19(12)24-22(26)17-15-11-16-18(17)23(24,27-21(16)20(15)25)14-9-4-3-5-10-14/h3-10,15-18,20-21,25H,11H2,1-2H3
InChIKeyCOBARKFIGGPJET-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-cyclopropyl-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857206
9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859635
9-hydroxy-5,6-bis(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50878056
(1S,2R,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711086
9-hydroxy-6-(4-methoxyphenyl)-5-(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50878080
(1S,2S,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124752043
(1R,2R,3R,6R,8S,9S,10R)-9-hydroxy-6-methyl-5-(3-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124751866
6-ethenyl-9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857073
9-hydroxy-5-phenyl-6-prop-2-enyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857118
(1S,2S,3R,6S,8S,9R,10S)-5-benzyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124756173
(1S,2S,3S,6S,8S,9R,10S)-5-(2,4-dimethylphenyl)-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711807
(1S,2S,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-(2-methoxyphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711798

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859641) is 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is Cc1cccc(C)c1N1C(=O)C2C3CC4C(OC1(c1ccccc1)C42)C3O.
What is the InChIKey of 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is COBARKFIGGPJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-12-7-6-8-13(2)19(12)24-22(26)17-15-11-16-18(17)23(24,27-21(16)20(15)25)14-9-4-3-5-10-14/h3-10,15-18,20-21,25H,11H2,1-2H3.
What are the key properties of 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 361.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).