10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione

C30H26N4O5 — CID 10289416

About 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione

10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione (PubChem CID 10289416) has the molecular formula C30H26N4O5 and a molecular weight of 522.56 g/mol. Its IUPAC name is 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione.

Molecular Properties

• Compound Name: 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
• PubChem CID: 10289416
• Molecular Formula: C30H26N4O5
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.19
• IUPAC Name: 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCc1ccc(OC)cc1)C=N3
• InChI: InChI=1S/C30H26N4O5/c1-3-30(37)21-13-24-26-19(14-34(24)28(35)20(21)15-39-29(30)36)27-25-22(5-4-6-23(25)32-26)31-16-33(27)12-11-17-7-9-18(38-2)10-8-17/h4-10,13,16,37H,3,11-12,14-15H2,1-2H3
• InChIKey: AYECSWFQWOMMKX-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 106.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?

The IUPAC name of 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione (CID 10289416) is 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione.

What is the SMILES notation for 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?

The canonical SMILES for 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCc1ccc(OC)cc1)C=N3.

What is the InChIKey of 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?

The InChIKey is AYECSWFQWOMMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O5/c1-3-30(37)21-13-24-26-19(14-34(24)28(35)20(21)15-39-29(30)36)27-25-22(5-4-6-23(25)32-26)31-16-33(27)12-11-17-7-9-18(38-2)10-8-17/h4-10,13,16,37H,3,11-12,14-15H2,1-2H3.

What are the key properties of 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?

10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione has a molecular weight of 522.56 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione is sourced from PubChem (CID 10289416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).