N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide

C71H67N11O13 — CID 160999358

About N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide

N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide (PubChem CID 160999358) has the molecular formula C71H67N11O13 and a molecular weight of 1282.38 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide
• PubChem CID: 160999358
• Molecular Formula: C71H67N11O13
• Molecular Weight: 1282.38 g/mol
• Exact Mass: 1281.49
• IUPAC Name: N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide
• SMILES: CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NOC5CCCCO5)cc4)c4ccccc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)O)cc4)c4ccccc34)CCN2C1=O
• InChI: InChI=1S/C27H28N4O5.C22H20N4O4.C22H19N3O4/c1-29-26(33)24-23-19-6-2-3-7-20(19)31(21(23)13-14-30(24)27(29)34)16-17-9-11-18(12-10-17)25(32)28-36-22-8-4-5-15-35-22;1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30;1-23-20(26)19-18-15-4-2-3-5-16(15)25(17(18)10-11-24(19)22(23)29)12-13-6-8-14(9-7-13)21(27)28/h2-3,6-7,9-12,22,24H,4-5,8,13-16H2,1H3,(H,28,32);2-9,19,30H,10-12H2,1H3,(H,23,27);2-9,19H,10-12H2,1H3,(H,27,28)
• InChIKey: TVQUPTNURPHASL-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 270.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.38
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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 N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide?

The IUPAC name of N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide (CID 160999358) is N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide.

What is the SMILES notation for N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide?

The canonical SMILES for N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide is CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccccc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NOC5CCCCO5)cc4)c4ccccc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)O)cc4)c4ccccc34)CCN2C1=O.

What is the InChIKey of N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide?

The InChIKey is TVQUPTNURPHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5.C22H20N4O4.C22H19N3O4/c1-29-26(33)24-23-19-6-2-3-7-20(19)31(21(23)13-14-30(24)27(29)34)16-17-9-11-18(12-10-17)25(32)28-36-22-8-4-5-15-35-22;1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30;1-23-20(26)19-18-15-4-2-3-5-16(15)25(17(18)10-11-24(19)22(23)29)12-13-6-8-14(9-7-13)21(27)28/h2-3,6-7,9-12,22,24H,4-5,8,13-16H2,1H3,(H,28,32);2-9,19,30H,10-12H2,1H3,(H,23,27);2-9,19H,10-12H2,1H3,(H,27,28).

What are the key properties of N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide?

N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide has a molecular weight of 1282.38 g/mol, XLogP of 8.55, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 160999358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).