[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate

C21H19N3O3 — CID 11783380

IUPAC[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate
SMILESCc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-8-10-15(11-9-14)18-19(27-21(25)23(2)3)16-6-5-13-24(16)20-17(26-18)7-4-12-22-20/h4-13H,1-3H3
InChIKeyFHPZOIWMILGEQL-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.10
Rot. Bonds2

About [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate

[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate (PubChem CID 11783380) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate
PubChem CID11783380
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate
SMILESCc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-8-10-15(11-9-14)18-19(27-21(25)23(2)3)16-6-5-13-24(16)20-17(26-18)7-4-12-22-20/h4-13H,1-3H3
InChIKeyFHPZOIWMILGEQL-UHFFFAOYSA-N
XLogP4.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate 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 [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate (CID 11783380) is [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate is Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ncccc3O2)cc1.
What is the InChIKey of [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate?
The InChIKey is FHPZOIWMILGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-8-10-15(11-9-14)18-19(27-21(25)23(2)3)16-6-5-13-24(16)20-17(26-18)7-4-12-22-20/h4-13H,1-3H3.
What are the key properties of [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate?
[8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate has a molecular weight of 361.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methylphenyl)-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 11783380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).