[2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate

C34H25NO5 — CID 1216782

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate (PubChem CID 1216782) has the molecular formula C34H25NO5 and a molecular weight of 527.58 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate.

Molecular Properties

• Compound Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
• PubChem CID: 1216782
• Molecular Formula: C34H25NO5
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.17
• IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
• SMILES: O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C34H25NO5/c36-27(22-16-14-21(15-17-22)20-8-2-1-3-9-20)19-40-28(37)18-35-33(38)31-29-23-10-4-5-11-24(23)30(32(31)34(35)39)26-13-7-6-12-25(26)29/h1-17,29-32H,18-19H2/t29?,30?,31-,32-/m1/s1
• InChIKey: GEAVYZQUZDZOGU-LYBMHKGZSA-N
• XLogP: 4.97
• TPSA: 80.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate?

The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate (CID 1216782) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate.

What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate?

The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate is O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate?

The InChIKey is GEAVYZQUZDZOGU-LYBMHKGZSA-N. The full InChI is InChI=1S/C34H25NO5/c36-27(22-16-14-21(15-17-22)20-8-2-1-3-9-20)19-40-28(37)18-35-33(38)31-29-23-10-4-5-11-24(23)30(32(31)34(35)39)26-13-7-6-12-25(26)29/h1-17,29-32H,18-19H2/t29?,30?,31-,32-/m1/s1.

What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate?

[2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate has a molecular weight of 527.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate is sourced from PubChem (CID 1216782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).