(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one

C27H30N2O2 — CID 58326273

IUPAC(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one
SMILESCN[C@H]1CCC(=O)NC(C)c2ccccc2C(c2ccccc2)(c2ccccc2)OC1
InChIInChI=1S/C27H30N2O2/c1-20-24-15-9-10-16-25(24)27(21-11-5-3-6-12-21,22-13-7-4-8-14-22)31-19-23(28-2)17-18-26(30)29-20/h3-16,20,23,28H,17-19H2,1-2H3,(H,29,30)/t20?,23-/m0/s1
InChIKeyHQCCSLLHUWHAMN-AKRCKQFNSA-N
MW414.55 g/mol
LogP4.55
Rot. Bonds3

About (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one

(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one (PubChem CID 58326273) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one.

Molecular Properties

Compound Name(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one
PubChem CID58326273
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one
SMILESCN[C@H]1CCC(=O)NC(C)c2ccccc2C(c2ccccc2)(c2ccccc2)OC1
InChIInChI=1S/C27H30N2O2/c1-20-24-15-9-10-16-25(24)27(21-11-5-3-6-12-21,22-13-7-4-8-14-22)31-19-23(28-2)17-18-26(30)29-20/h3-16,20,23,28H,17-19H2,1-2H3,(H,29,30)/t20?,23-/m0/s1
InChIKeyHQCCSLLHUWHAMN-AKRCKQFNSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-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 (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one?
The IUPAC name of (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one (CID 58326273) is (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one.
What is the SMILES notation for (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one?
The canonical SMILES for (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one is CN[C@H]1CCC(=O)NC(C)c2ccccc2C(c2ccccc2)(c2ccccc2)OC1.
What is the InChIKey of (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one?
The InChIKey is HQCCSLLHUWHAMN-AKRCKQFNSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20-24-15-9-10-16-25(24)27(21-11-5-3-6-12-21,22-13-7-4-8-14-22)31-19-23(28-2)17-18-26(30)29-20/h3-16,20,23,28H,17-19H2,1-2H3,(H,29,30)/t20?,23-/m0/s1.
What are the key properties of (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one?
(5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one has a molecular weight of 414.55 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-methyl-5-(methylamino)-2,2-diphenyl-3-oxa-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-8-one is sourced from PubChem (CID 58326273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).