9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione

C16H16N2O4 — CID 3291148

IUPAC9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCC1(C)Oc2[nH]c(=O)[nH]c(=O)c2C2c3ccccc3OCC21
InChIInChI=1S/C16H16N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyOAAGULBBCPUWBA-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.37
Rot. Bonds

About 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione

9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione (PubChem CID 3291148) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione.

Molecular Properties

Compound Name9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
PubChem CID3291148
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCC1(C)Oc2[nH]c(=O)[nH]c(=O)c2C2c3ccccc3OCC21
InChIInChI=1S/C16H16N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyOAAGULBBCPUWBA-UHFFFAOYSA-N
XLogP1.37
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The IUPAC name of 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione (CID 3291148) is 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione.
What is the SMILES notation for 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The canonical SMILES for 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione is CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2C2c3ccccc3OCC21.
What is the InChIKey of 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
The InChIKey is OAAGULBBCPUWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11H,7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione has a molecular weight of 300.31 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione is sourced from PubChem (CID 3291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).