5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen

C43H50N6O8 — CID 157193525

About 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen

5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen (PubChem CID 157193525) has the molecular formula C43H50N6O8 and a molecular weight of 778.91 g/mol. Its IUPAC name is 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen
• PubChem CID: 157193525
• Molecular Formula: C43H50N6O8
• Molecular Weight: 778.91 g/mol
• Exact Mass: 778.37
• IUPAC Name: 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen
• SMILES: O=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.O=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NOCc1ccccc1.[H][H]
• InChI: InChI=1S/C25H27N3O4.C18H21N3O4.H2/c29-22(27-32-17-18-8-2-1-3-9-18)13-4-5-14-26-25(31)24(30)21-16-28-15-7-11-19-10-6-12-20(21)23(19)28;22-15(20-25)8-1-2-9-19-18(24)17(23)14-11-21-10-4-6-12-5-3-7-13(14)16(12)21;/h1-3,6,8-10,12,16H,4-5,7,11,13-15,17H2,(H,26,31)(H,27,29);3,5,7,11,25H,1-2,4,6,8-10H2,(H,19,24)(H,20,22);1H
• InChIKey: APYZZGSMORGHBA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 189.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.91
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen?

The IUPAC name of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen (CID 157193525) is 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen.

What is the SMILES notation for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen?

The canonical SMILES for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen is O=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.O=C(CCCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NOCc1ccccc1.[H][H].

What is the InChIKey of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen?

The InChIKey is APYZZGSMORGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4.C18H21N3O4.H2/c29-22(27-32-17-18-8-2-1-3-9-18)13-4-5-14-26-25(31)24(30)21-16-28-15-7-11-19-10-6-12-20(21)23(19)28;22-15(20-25)8-1-2-9-19-18(24)17(23)14-11-21-10-4-6-12-5-3-7-13(14)16(12)21;/h1-3,6,8-10,12,16H,4-5,7,11,13-15,17H2,(H,26,31)(H,27,29);3,5,7,11,25H,1-2,4,6,8-10H2,(H,19,24)(H,20,22);1H.

What are the key properties of 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen?

5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen has a molecular weight of 778.91 g/mol, XLogP of 5.11, 17 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxypentanamide;5-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxypentanamide;molecular hydrogen is sourced from PubChem (CID 157193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).