N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide

C32H23N3O4 — CID 41329597

About N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 41329597) has the molecular formula C32H23N3O4 and a molecular weight of 513.55 g/mol. Its IUPAC name is N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide
• PubChem CID: 41329597
• Molecular Formula: C32H23N3O4
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.17
• IUPAC Name: N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide
• SMILES: O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1O
• InChI: InChI=1S/C32H23N3O4/c36-25-17-9-6-14-22(25)29(37)34-33-18-32-23-15-7-4-12-20(23)26(21-13-5-8-16-24(21)32)27-28(32)31(39)35(30(27)38)19-10-2-1-3-11-19/h1-18,26-28,36H,(H,34,37)/b33-18-/t26?,27-,28-,32?/m1/s1
• InChIKey: WRWZPYSQSQZNPJ-DXQDFUFTSA-N
• XLogP: 4.36
• TPSA: 99.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide?

The IUPAC name of N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide (CID 41329597) is N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide.

What is the SMILES notation for N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide?

The canonical SMILES for N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1O.

What is the InChIKey of N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide?

The InChIKey is WRWZPYSQSQZNPJ-DXQDFUFTSA-N. The full InChI is InChI=1S/C32H23N3O4/c36-25-17-9-6-14-22(25)29(37)34-33-18-32-23-15-7-4-12-20(23)26(21-13-5-8-16-24(21)32)27-28(32)31(39)35(30(27)38)19-10-2-1-3-11-19/h1-18,26-28,36H,(H,34,37)/b33-18-/t26?,27-,28-,32?/m1/s1.

What are the key properties of N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide?

N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 513.55 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(15S,19R)-16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 41329597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).