11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C24H22N2O3 — CID 4561938

IUPAC11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCC(=O)C1C2C(=O)N(CCc3ccccc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C24H22N2O3/c1-15(27)21-19-20(22-18-10-6-5-9-17(18)12-14-25(21)22)24(29)26(23(19)28)13-11-16-7-3-2-4-8-16/h2-10,12,14,19-22H,11,13H2,1H3
InChIKeyXNWFJPNYSLRIKF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.83
Rot. Bonds4

About 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 4561938) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID4561938
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCC(=O)C1C2C(=O)N(CCc3ccccc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C24H22N2O3/c1-15(27)21-19-20(22-18-10-6-5-9-17(18)12-14-25(21)22)24(29)26(23(19)28)13-11-16-7-3-2-4-8-16/h2-10,12,14,19-22H,11,13H2,1H3
InChIKeyXNWFJPNYSLRIKF-UHFFFAOYSA-N
XLogP2.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 4561938) is 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is CC(=O)C1C2C(=O)N(CCc3ccccc3)C(=O)C2C2c3ccccc3C=CN12.
What is the InChIKey of 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is XNWFJPNYSLRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15(27)21-19-20(22-18-10-6-5-9-17(18)12-14-25(21)22)24(29)26(23(19)28)13-11-16-7-3-2-4-8-16/h2-10,12,14,19-22H,11,13H2,1H3.
What are the key properties of 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 386.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyl-14-(2-phenylethyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 4561938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).