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

C18H20N2O4 — CID 3744541

IUPAC4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2
InChIInChI=1S/C18H20N2O4/c1-18(2)11-9-23-12-8-6-5-7-10(12)13(11)14-15(21)19(3)17(22)20(4)16(14)24-18/h5-8,11,13H,9H2,1-4H3
InChIKeyHOCUKQUIIIWNJY-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.40
Rot. Bonds

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

4,6,9,9-tetramethyl-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 3744541) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4,6,9,9-tetramethyl-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 Name4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
PubChem CID3744541
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2
InChIInChI=1S/C18H20N2O4/c1-18(2)11-9-23-12-8-6-5-7-10(12)13(11)14-15(21)19(3)17(22)20(4)16(14)24-18/h5-8,11,13H,9H2,1-4H3
InChIKeyHOCUKQUIIIWNJY-UHFFFAOYSA-N
XLogP1.40
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6,9,9-tetramethyl-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 4,6,9,9-tetramethyl-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 4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione (CID 3744541) is 4,6,9,9-tetramethyl-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 4,6,9,9-tetramethyl-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 4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione is Cn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2.
What is the InChIKey of 4,6,9,9-tetramethyl-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 HOCUKQUIIIWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2)11-9-23-12-8-6-5-7-10(12)13(11)14-15(21)19(3)17(22)20(4)16(14)24-18/h5-8,11,13H,9H2,1-4H3.
What are the key properties of 4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-3,5-dione?
4,6,9,9-tetramethyl-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 328.37 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,9,9-tetramethyl-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 3744541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).