(2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

C30H36N2O6 — CID 6669041

About (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669041) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6669041
• Molecular Formula: C30H36N2O6
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.26
• IUPAC Name: (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: O=C(NCCCN1CCCC1=O)C1=C[C@@H](c2cccc3c2Cc2ccccc2-3)C[C@@H](OCCOCCO)O1
• InChI: InChI=1S/C30H36N2O6/c33-14-15-36-16-17-37-29-20-22(24-8-3-9-25-23-7-2-1-6-21(23)18-26(24)25)19-27(38-29)30(35)31-11-5-13-32-12-4-10-28(32)34/h1-3,6-9,19,22,29,33H,4-5,10-18,20H2,(H,31,35)/t22-,29+/m1/s1
• InChIKey: IBDGSEZJUMIDND-MNNSJKJDSA-N
• XLogP: 3.13
• TPSA: 97.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669041) is (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCCCN1CCCC1=O)C1=C[C@@H](c2cccc3c2Cc2ccccc2-3)C[C@@H](OCCOCCO)O1.

What is the InChIKey of (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is IBDGSEZJUMIDND-MNNSJKJDSA-N. The full InChI is InChI=1S/C30H36N2O6/c33-14-15-36-16-17-37-29-20-22(24-8-3-9-25-23-7-2-1-6-21(23)18-26(24)25)19-27(38-29)30(35)31-11-5-13-32-12-4-10-28(32)34/h1-3,6-9,19,22,29,33H,4-5,10-18,20H2,(H,31,35)/t22-,29+/m1/s1.

What are the key properties of (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).