N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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

C32H29N3O6 — CID 124559048

About N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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 124559048) has the molecular formula C32H29N3O6 and a molecular weight of 551.60 g/mol. Its IUPAC name is N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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: 124559048
• Molecular Formula: C32H29N3O6
• Molecular Weight: 551.60 g/mol
• Exact Mass: 551.21
• IUPAC Name: N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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: COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N\NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@H]2C1=O
• InChI: InChI=1S/C32H29N3O6/c1-31(40-15-16-41-31)17-25(36)34-33-18-32-21-11-5-3-9-19(21)26(20-10-4-6-12-22(20)32)27-28(32)30(38)35(29(27)37)23-13-7-8-14-24(23)39-2/h3-14,18,26-28H,15-17H2,1-2H3,(H,34,36)/b33-18-/t26?,27-,28+,32?/m0/s1
• InChIKey: JIIAJYNGTYXHAE-CSYMVNESSA-N
• XLogP: 3.50
• TPSA: 106.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.60
LogP ≤ 5	3.50
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,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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 124559048) is N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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 COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N\NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@H]2C1=O.

What is the InChIKey of N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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 JIIAJYNGTYXHAE-CSYMVNESSA-N. The full InChI is InChI=1S/C32H29N3O6/c1-31(40-15-16-41-31)17-25(36)34-33-18-32-21-11-5-3-9-19(21)26(20-10-4-6-12-22(20)32)27-28(32)30(38)35(29(27)37)23-13-7-8-14-24(23)39-2/h3-14,18,26-28H,15-17H2,1-2H3,(H,34,36)/b33-18-/t26?,27-,28+,32?/m0/s1.

What are the key properties of N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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,19S)-17-(2-methoxyphenyl)-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 551.60 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(15S,19S)-17-(2-methoxyphenyl)-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 124559048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).