cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate

C41H50N2O5 — CID 163624353

About cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate

cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate (PubChem CID 163624353) has the molecular formula C41H50N2O5 and a molecular weight of 650.86 g/mol. Its IUPAC name is cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate.

Molecular Properties

• Compound Name: cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate
• PubChem CID: 163624353
• Molecular Formula: C41H50N2O5
• Molecular Weight: 650.86 g/mol
• Exact Mass: 650.37
• IUPAC Name: cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate
• SMILES: C=C(/C=C\C)CN(NC(CC(C)C)C(=O)OC1CCCC1)C(=O)c1cc(C(=C)C)c(OCc2ccccc2)cc1OCc1ccccc1
• InChI: InChI=1S/C41H50N2O5/c1-7-16-31(6)26-43(42-37(23-29(2)3)41(45)48-34-21-14-15-22-34)40(44)36-24-35(30(4)5)38(46-27-32-17-10-8-11-18-32)25-39(36)47-28-33-19-12-9-13-20-33/h7-13,16-20,24-25,29,34,37,42H,4,6,14-15,21-23,26-28H2,1-3,5H3/b16-7-
• InChIKey: HQVGBHGLKIHDPX-APSNUPSMSA-N
• XLogP: 8.86
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.86
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate?

The IUPAC name of cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate (CID 163624353) is cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate.

What is the SMILES notation for cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate?

The canonical SMILES for cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate is C=C(/C=C\C)CN(NC(CC(C)C)C(=O)OC1CCCC1)C(=O)c1cc(C(=C)C)c(OCc2ccccc2)cc1OCc1ccccc1.

What is the InChIKey of cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate?

The InChIKey is HQVGBHGLKIHDPX-APSNUPSMSA-N. The full InChI is InChI=1S/C41H50N2O5/c1-7-16-31(6)26-43(42-37(23-29(2)3)41(45)48-34-21-14-15-22-34)40(44)36-24-35(30(4)5)38(46-27-32-17-10-8-11-18-32)25-39(36)47-28-33-19-12-9-13-20-33/h7-13,16-20,24-25,29,34,37,42H,4,6,14-15,21-23,26-28H2,1-3,5H3/b16-7-.

What are the key properties of cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate?

cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate has a molecular weight of 650.86 g/mol, XLogP of 8.86, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate is sourced from PubChem (CID 163624353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).