(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one

C20H19NO2 — CID 10638299

IUPAC(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one
SMILESO=C1C[C@H]2CCc3ccccc3[C@]23OC[C@@H](c2ccccc2)N13
InChIInChI=1S/C20H19NO2/c22-19-12-16-11-10-14-6-4-5-9-17(14)20(16)21(19)18(13-23-20)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2/t16-,18+,20-/m1/s1
InChIKeyPULDAXNJQPTFAQ-IMFGXOCKSA-N
MW305.38 g/mol
LogP3.41
Rot. Bonds1

About (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one

(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one (PubChem CID 10638299) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one.

Molecular Properties

Compound Name(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one
PubChem CID10638299
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one
SMILESO=C1C[C@H]2CCc3ccccc3[C@]23OC[C@@H](c2ccccc2)N13
InChIInChI=1S/C20H19NO2/c22-19-12-16-11-10-14-6-4-5-9-17(14)20(16)21(19)18(13-23-20)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2/t16-,18+,20-/m1/s1
InChIKeyPULDAXNJQPTFAQ-IMFGXOCKSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one?
The IUPAC name of (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one (CID 10638299) is (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one.
What is the SMILES notation for (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one?
The canonical SMILES for (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one is O=C1C[C@H]2CCc3ccccc3[C@]23OC[C@@H](c2ccccc2)N13.
What is the InChIKey of (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one?
The InChIKey is PULDAXNJQPTFAQ-IMFGXOCKSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-12-16-11-10-14-6-4-5-9-17(14)20(16)21(19)18(13-23-20)15-7-2-1-3-8-15/h1-9,16,18H,10-13H2/t16-,18+,20-/m1/s1.
What are the key properties of (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one?
(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one has a molecular weight of 305.38 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one is sourced from PubChem (CID 10638299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).