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

C33H37NO7 — CID 6669263

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

(2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669263) has the molecular formula C33H37NO7 and a molecular weight of 559.66 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6669263
• Molecular Formula: C33H37NO7
• Molecular Weight: 559.66 g/mol
• Exact Mass: 559.26
• IUPAC Name: (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@H]1OC(C(=O)Nc2ccccc2O)=C[C@@H](c2cccc3c2Cc2ccccc2-3)[C@H]1CCOCCOCCO
• InChI: InChI=1S/C33H37NO7/c1-2-40-33-26(14-16-38-18-19-39-17-15-35)28(21-31(41-33)32(37)34-29-12-5-6-13-30(29)36)25-11-7-10-24-23-9-4-3-8-22(23)20-27(24)25/h3-13,21,26,28,33,35-36H,2,14-20H2,1H3,(H,34,37)/t26-,28+,33+/m1/s1
• InChIKey: VKSNSZCZEHXQAC-YAKYPSBCSA-N
• XLogP: 4.99
• TPSA: 106.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.66
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669263) is (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

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

The canonical SMILES for (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)Nc2ccccc2O)=C[C@@H](c2cccc3c2Cc2ccccc2-3)[C@H]1CCOCCOCCO.

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

The InChIKey is VKSNSZCZEHXQAC-YAKYPSBCSA-N. The full InChI is InChI=1S/C33H37NO7/c1-2-40-33-26(14-16-38-18-19-39-17-15-35)28(21-31(41-33)32(37)34-29-12-5-6-13-30(29)36)25-11-7-10-24-23-9-4-3-8-22(23)20-27(24)25/h3-13,21,26,28,33,35-36H,2,14-20H2,1H3,(H,34,37)/t26-,28+,33+/m1/s1.

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

(2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 559.66 g/mol, XLogP of 4.99, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R)-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).