4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide

C34H42N2O8 — CID 89175086

About 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide

4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide (PubChem CID 89175086) has the molecular formula C34H42N2O8 and a molecular weight of 606.72 g/mol. Its IUPAC name is 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide
• PubChem CID: 89175086
• Molecular Formula: C34H42N2O8
• Molecular Weight: 606.72 g/mol
• Exact Mass: 606.29
• IUPAC Name: 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide
• SMILES: CO[C@H]1C[C@H](C)CC2=C(NC(=O)c3ccc(O)cc3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C/C(C)=C/[C@H](C)[C@H]1O)C2=O
• InChI: InChI=1S/C34H42N2O8/c1-19-14-22(4)31(39)29(44-6)17-20(2)16-26-30(36-34(42)23-10-12-24(37)13-11-23)28(38)18-27(32(26)40)35-33(41)21(3)8-7-9-25(15-19)43-5/h7-14,18,20,22,25,29,31,37,39H,15-17H2,1-6H3,(H,35,41)(H,36,42)/b9-7-,19-14+,21-8+/t20-,22+,25+,29+,31-/m1/s1
• InChIKey: VITFNPROWUOSHZ-QOQCBYMQSA-N
• XLogP: 3.82
• TPSA: 151.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.72
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide?

The IUPAC name of 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide (CID 89175086) is 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide.

What is the SMILES notation for 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide?

The canonical SMILES for 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide is CO[C@H]1C[C@H](C)CC2=C(NC(=O)c3ccc(O)cc3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C/C(C)=C/[C@H](C)[C@H]1O)C2=O.

What is the InChIKey of 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide?

The InChIKey is VITFNPROWUOSHZ-QOQCBYMQSA-N. The full InChI is InChI=1S/C34H42N2O8/c1-19-14-22(4)31(39)29(44-6)17-20(2)16-26-30(36-34(42)23-10-12-24(37)13-11-23)28(38)18-27(32(26)40)35-33(41)21(3)8-7-9-25(15-19)43-5/h7-14,18,20,22,25,29,31,37,39H,15-17H2,1-6H3,(H,35,41)(H,36,42)/b9-7-,19-14+,21-8+/t20-,22+,25+,29+,31-/m1/s1.

What are the key properties of 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide?

4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide has a molecular weight of 606.72 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[(4E,6Z,8R,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl]benzamide is sourced from PubChem (CID 89175086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).