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

C22H21N3O3 — CID 11025188

IUPAC(8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1=C(c2ccccc2)Oc2cccnc2-n2cccc21
InChIInChI=1S/C22H21N3O3/c1-3-24(4-2)22(26)28-20-17-12-9-15-25(17)21-18(13-8-14-23-21)27-19(20)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyKWIRXYGAYVTROX-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.57
Rot. Bonds4

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

(8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate (PubChem CID 11025188) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate
PubChem CID11025188
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1=C(c2ccccc2)Oc2cccnc2-n2cccc21
InChIInChI=1S/C22H21N3O3/c1-3-24(4-2)22(26)28-20-17-12-9-15-25(17)21-18(13-8-14-23-21)27-19(20)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyKWIRXYGAYVTROX-UHFFFAOYSA-N
XLogP4.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate?
The IUPAC name of (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate (CID 11025188) is (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate.
What is the SMILES notation for (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate?
The canonical SMILES for (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate is CCN(CC)C(=O)OC1=C(c2ccccc2)Oc2cccnc2-n2cccc21.
What is the InChIKey of (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate?
The InChIKey is KWIRXYGAYVTROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-24(4-2)22(26)28-20-17-12-9-15-25(17)21-18(13-8-14-23-21)27-19(20)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3.
What are the key properties of (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate?
(8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate has a molecular weight of 375.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaen-7-yl) N,N-diethylcarbamate is sourced from PubChem (CID 11025188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).