[(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate

C24H37N5O5 — CID 169491132

About [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate

[(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 169491132) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 169491132
• Molecular Formula: C24H37N5O5
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.28
• IUPAC Name: [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)=NNc1ccc(C(=O)NCCOCCOCCNC(=O)OC2C/C=C\CCCC2)cn1
• InChI: InChI=1S/C24H37N5O5/c1-19(2)28-29-22-11-10-20(18-27-22)23(30)25-12-14-32-16-17-33-15-13-26-24(31)34-21-8-6-4-3-5-7-9-21/h4,6,10-11,18,21H,3,5,7-9,12-17H2,1-2H3,(H,25,30)(H,26,31)(H,27,29)/b6-4-
• InChIKey: ZHBFBQSGYCJRKX-XQRVVYSFSA-N
• XLogP: 3.27
• TPSA: 123.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 169491132) is [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate is CC(C)=NNc1ccc(C(=O)NCCOCCOCCNC(=O)OC2C/C=C\CCCC2)cn1.

What is the InChIKey of [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is ZHBFBQSGYCJRKX-XQRVVYSFSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-19(2)28-29-22-11-10-20(18-27-22)23(30)25-12-14-32-16-17-33-15-13-26-24(31)34-21-8-6-4-3-5-7-9-21/h4,6,10-11,18,21H,3,5,7-9,12-17H2,1-2H3,(H,25,30)(H,26,31)(H,27,29)/b6-4-.

What are the key properties of [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate?

[(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 475.59 g/mol, XLogP of 3.27, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z)-cyclooct-3-en-1-yl] N-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 169491132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).