N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

C32H26N4O5 — CID 124559051

About N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (PubChem CID 124559051) has the molecular formula C32H26N4O5 and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
• PubChem CID: 124559051
• Molecular Formula: C32H26N4O5
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.19
• IUPAC Name: N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
• SMILES: CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@@H]23)OCCO1
• InChI: InChI=1S/C32H26N4O5/c1-31(40-14-15-41-31)16-25(37)35-34-18-32-22-11-5-3-9-20(22)26(21-10-4-6-12-23(21)32)27-28(32)30(39)36(29(27)38)24-13-7-2-8-19(24)17-33/h2-13,18,26-28H,14-16H2,1H3,(H,35,37)/b34-18-/t26?,27-,28-,32?/m1/s1
• InChIKey: OWXYVRZKKBTFGW-BRUHHPIBSA-N
• XLogP: 3.36
• TPSA: 121.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?

The IUPAC name of N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (CID 124559051) is N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.

What is the SMILES notation for N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?

The canonical SMILES for N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@@H]23)OCCO1.

What is the InChIKey of N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?

The InChIKey is OWXYVRZKKBTFGW-BRUHHPIBSA-N. The full InChI is InChI=1S/C32H26N4O5/c1-31(40-14-15-41-31)16-25(37)35-34-18-32-22-11-5-3-9-20(22)26(21-10-4-6-12-23(21)32)27-28(32)30(39)36(29(27)38)24-13-7-2-8-19(24)17-33/h2-13,18,26-28H,14-16H2,1H3,(H,35,37)/b34-18-/t26?,27-,28-,32?/m1/s1.

What are the key properties of N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?

N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide has a molecular weight of 546.58 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(15S,19R)-17-(2-cyanophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is sourced from PubChem (CID 124559051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).