10-ethyl-10-hydroxy-23-pentyl-22-propyl-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

C29H32N4O4 — CID 10311309

About 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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-pentyl-22-propyl-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 10311309) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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-pentyl-22-propyl-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: 10311309
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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: CCCCCN1C(CCC)=Nc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)C2(O)CC
• InChI: InChI=1S/C29H32N4O4/c1-4-7-8-13-32-23(10-5-2)30-20-11-9-12-21-24(20)26(32)17-15-33-22(25(17)31-21)14-19-18(27(33)34)16-37-28(35)29(19,36)6-3/h9,11-12,14,36H,4-8,10,13,15-16H2,1-3H3
• InChIKey: UTGPCZXENDNUBY-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 97.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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-pentyl-22-propyl-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 10311309) is 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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-pentyl-22-propyl-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-pentyl-22-propyl-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 CCCCCN1C(CCC)=Nc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)C2(O)CC.

What is the InChIKey of 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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 UTGPCZXENDNUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-4-7-8-13-32-23(10-5-2)30-20-11-9-12-21-24(20)26(32)17-15-33-22(25(17)31-21)14-19-18(27(33)34)16-37-28(35)29(19,36)6-3/h9,11-12,14,36H,4-8,10,13,15-16H2,1-3H3.

What are the key properties of 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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-pentyl-22-propyl-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 500.60 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-10-hydroxy-23-pentyl-22-propyl-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 10311309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).