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

C41H46N6O8 — CID 158153917

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

4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen (PubChem CID 158153917) has the molecular formula C41H46N6O8 and a molecular weight of 750.85 g/mol. Its IUPAC name is 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen
• PubChem CID: 158153917
• Molecular Formula: C41H46N6O8
• Molecular Weight: 750.85 g/mol
• Exact Mass: 750.34
• IUPAC Name: 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen
• SMILES: O=C(CCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NO.O=C(CCCNC(=O)C(=O)c1cn2c3c(cccc13)CCC2)NOCc1ccccc1.[H][H]
• InChI: InChI=1S/C24H25N3O4.C17H19N3O4.H2/c28-21(26-31-16-17-7-2-1-3-8-17)12-5-13-25-24(30)23(29)20-15-27-14-6-10-18-9-4-11-19(20)22(18)27;21-14(19-24)7-2-8-18-17(23)16(22)13-10-20-9-3-5-11-4-1-6-12(13)15(11)20;/h1-4,7-9,11,15H,5-6,10,12-14,16H2,(H,25,30)(H,26,28);1,4,6,10,24H,2-3,5,7-9H2,(H,18,23)(H,19,21);1H
• InChIKey: FVLLLXUMKDRVHY-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 189.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	750.85
LogP ≤ 5	4.33
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 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen?

The IUPAC name of 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen (CID 158153917) is 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen.

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

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

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

The InChIKey is FVLLLXUMKDRVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4.C17H19N3O4.H2/c28-21(26-31-16-17-7-2-1-3-8-17)12-5-13-25-24(30)23(29)20-15-27-14-6-10-18-9-4-11-19(20)22(18)27;21-14(19-24)7-2-8-18-17(23)16(22)13-10-20-9-3-5-11-4-1-6-12(13)15(11)20;/h1-4,7-9,11,15H,5-6,10,12-14,16H2,(H,25,30)(H,26,28);1,4,6,10,24H,2-3,5,7-9H2,(H,18,23)(H,19,21);1H.

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

4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen has a molecular weight of 750.85 g/mol, XLogP of 4.33, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-hydroxybutanamide;4-[[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetyl]amino]-N-phenylmethoxybutanamide;molecular hydrogen is sourced from PubChem (CID 158153917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).