6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C23H19NO3 — CID 2883367

IUPAC6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCOCc1ccccc1)CC3
InChIInChI=1S/C23H19NO3/c25-22-18-10-8-16-6-7-17-9-11-19(21(18)20(16)17)23(26)24(22)12-13-27-14-15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-14H2
InChIKeyNUOOTQRTKIYULH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds5

About 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 2883367) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID2883367
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCOCc1ccccc1)CC3
InChIInChI=1S/C23H19NO3/c25-22-18-10-8-16-6-7-17-9-11-19(21(18)20(16)17)23(26)24(22)12-13-27-14-15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-14H2
InChIKeyNUOOTQRTKIYULH-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 2883367) is 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCOCc1ccccc1)CC3.
What is the InChIKey of 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is NUOOTQRTKIYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22-18-10-8-16-6-7-17-9-11-19(21(18)20(16)17)23(26)24(22)12-13-27-14-15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 357.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylmethoxyethyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 2883367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).