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

C23H23N3O3 — CID 10949143

IUPAC[8-(3-methylphenyl)-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(c2cccc(C)c2)Oc2cccnc2-n2cccc21
InChIInChI=1S/C23H23N3O3/c1-4-25(5-2)23(27)29-21-18-11-8-14-26(18)22-19(12-7-13-24-22)28-20(21)17-10-6-9-16(3)15-17/h6-15H,4-5H2,1-3H3
InChIKeyQKWMMSJSFWASJB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.88
Rot. Bonds4

About [8-(3-methylphenyl)-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-(3-methylphenyl)-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 10949143) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [8-(3-methylphenyl)-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-(3-methylphenyl)-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 CID10949143
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[8-(3-methylphenyl)-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(c2cccc(C)c2)Oc2cccnc2-n2cccc21
InChIInChI=1S/C23H23N3O3/c1-4-25(5-2)23(27)29-21-18-11-8-14-26(18)22-19(12-7-13-24-22)28-20(21)17-10-6-9-16(3)15-17/h6-15H,4-5H2,1-3H3
InChIKeyQKWMMSJSFWASJB-UHFFFAOYSA-N
XLogP4.88
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(3-methylphenyl)-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-(3-methylphenyl)-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 10949143) is [8-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-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(c2cccc(C)c2)Oc2cccnc2-n2cccc21.
What is the InChIKey of [8-(3-methylphenyl)-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 QKWMMSJSFWASJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-25(5-2)23(27)29-21-18-11-8-14-26(18)22-19(12-7-13-24-22)28-20(21)17-10-6-9-16(3)15-17/h6-15H,4-5H2,1-3H3.
What are the key properties of [8-(3-methylphenyl)-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-(3-methylphenyl)-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 389.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methylphenyl)-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 10949143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).