6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione

C20H22N2O3 — CID 58811758

IUPAC6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
SMILESCC(=O)C1CCCc2c([nH]c3cc4c(cc23)N(C)C(=O)C4(C)C)C1=O
InChIInChI=1S/C20H22N2O3/c1-10(23)11-6-5-7-12-13-8-16-14(20(2,3)19(25)22(16)4)9-15(13)21-17(12)18(11)24/h8-9,11,21H,5-7H2,1-4H3
InChIKeyXBTYBMJQNATBOK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.15
Rot. Bonds1

About 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione

6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione (PubChem CID 58811758) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione.

Molecular Properties

Compound Name6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
PubChem CID58811758
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione
SMILESCC(=O)C1CCCc2c([nH]c3cc4c(cc23)N(C)C(=O)C4(C)C)C1=O
InChIInChI=1S/C20H22N2O3/c1-10(23)11-6-5-7-12-13-8-16-14(20(2,3)19(25)22(16)4)9-15(13)21-17(12)18(11)24/h8-9,11,21H,5-7H2,1-4H3
InChIKeyXBTYBMJQNATBOK-UHFFFAOYSA-N
XLogP3.15
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione 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 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The IUPAC name of 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione (CID 58811758) is 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione.
What is the SMILES notation for 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The canonical SMILES for 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione is CC(=O)C1CCCc2c([nH]c3cc4c(cc23)N(C)C(=O)C4(C)C)C1=O.
What is the InChIKey of 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
The InChIKey is XBTYBMJQNATBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-10(23)11-6-5-7-12-13-8-16-14(20(2,3)19(25)22(16)4)9-15(13)21-17(12)18(11)24/h8-9,11,21H,5-7H2,1-4H3.
What are the key properties of 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione?
6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione has a molecular weight of 338.41 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-13,13,15-trimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione is sourced from PubChem (CID 58811758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).