2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate

C34H47FN4O8 — CID 158358197

About 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate

2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (PubChem CID 158358197) has the molecular formula C34H47FN4O8 and a molecular weight of 658.77 g/mol. Its IUPAC name is 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
• PubChem CID: 158358197
• Molecular Formula: C34H47FN4O8
• Molecular Weight: 658.77 g/mol
• Exact Mass: 658.34
• IUPAC Name: 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
• SMILES: CCOCCOCC(=O)CCCOCCOC(=O)N(CCN(CC)CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
• InChI: InChI=1S/C34H47FN4O8/c1-6-38(7-2)13-14-39(34(43)47-19-18-45-15-9-10-26(40)22-46-17-16-44-8-3)33(42)31-23(4)30(36-24(31)5)21-28-27-20-25(35)11-12-29(27)37-32(28)41/h11-12,20-21,36H,6-10,13-19,22H2,1-5H3,(H,37,41)/b28-21-
• InChIKey: CLOUVBYTDFQAAP-HFTWOUSFSA-N
• XLogP: 4.60
• TPSA: 139.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.77
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The IUPAC name of 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (CID 158358197) is 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.

What is the SMILES notation for 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The canonical SMILES for 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is CCOCCOCC(=O)CCCOCCOC(=O)N(CCN(CC)CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.

What is the InChIKey of 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The InChIKey is CLOUVBYTDFQAAP-HFTWOUSFSA-N. The full InChI is InChI=1S/C34H47FN4O8/c1-6-38(7-2)13-14-39(34(43)47-19-18-45-15-9-10-26(40)22-46-17-16-44-8-3)33(42)31-23(4)30(36-24(31)5)21-28-27-20-25(35)11-12-29(27)37-32(28)41/h11-12,20-21,36H,6-10,13-19,22H2,1-5H3,(H,37,41)/b28-21-.

What are the key properties of 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate has a molecular weight of 658.77 g/mol, XLogP of 4.60, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-ethoxyethoxy)-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is sourced from PubChem (CID 158358197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).