N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide

C43H54N2O7 — CID 170057614

About N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide

N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide (PubChem CID 170057614) has the molecular formula C43H54N2O7 and a molecular weight of 710.91 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide
• PubChem CID: 170057614
• Molecular Formula: C43H54N2O7
• Molecular Weight: 710.91 g/mol
• Exact Mass: 710.39
• IUPAC Name: N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide
• SMILES: COCCOCCCC1(CCCOCCO)c2cc(C)ccc2-c2ccc(-c3ccc(CCCC(=O)NCCCCN4C(=O)C=CC4=O)cc3)cc21
• InChI: InChI=1S/C43H54N2O7/c1-32-10-16-36-37-17-15-35(31-39(37)43(38(36)30-32,20-6-25-51-27-24-46)21-7-26-52-29-28-50-2)34-13-11-33(12-14-34)8-5-9-40(47)44-22-3-4-23-45-41(48)18-19-42(45)49/h10-19,30-31,46H,3-9,20-29H2,1-2H3,(H,44,47)
• InChIKey: LOPORBJRMMGKAK-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.91
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide?

The IUPAC name of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide (CID 170057614) is N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide.

What is the SMILES notation for N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide?

The canonical SMILES for N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide is COCCOCCCC1(CCCOCCO)c2cc(C)ccc2-c2ccc(-c3ccc(CCCC(=O)NCCCCN4C(=O)C=CC4=O)cc3)cc21.

What is the InChIKey of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide?

The InChIKey is LOPORBJRMMGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N2O7/c1-32-10-16-36-37-17-15-35(31-39(37)43(38(36)30-32,20-6-25-51-27-24-46)21-7-26-52-29-28-50-2)34-13-11-33(12-14-34)8-5-9-40(47)44-22-3-4-23-45-41(48)18-19-42(45)49/h10-19,30-31,46H,3-9,20-29H2,1-2H3,(H,44,47).

What are the key properties of N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide?

N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide has a molecular weight of 710.91 g/mol, XLogP of 6.30, 23 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide is sourced from PubChem (CID 170057614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).