(2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C38H47N3O7 — CID 6668892

About (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6668892) has the molecular formula C38H47N3O7 and a molecular weight of 657.81 g/mol. Its IUPAC name is (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6668892
• Molecular Formula: C38H47N3O7
• Molecular Weight: 657.81 g/mol
• Exact Mass: 657.34
• IUPAC Name: (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@@H]1OC(C(=O)NCCCCC(=O)Nc2ccccc2N)=C[C@H](c2cccc3c2Cc2ccccc2-3)[C@H]1CCOCCOCCO
• InChI: InChI=1S/C38H47N3O7/c1-2-47-38-30(17-20-45-22-23-46-21-19-42)32(29-13-9-12-28-27-11-4-3-10-26(27)24-31(28)29)25-35(48-38)37(44)40-18-8-7-16-36(43)41-34-15-6-5-14-33(34)39/h3-6,9-15,25,30,32,38,42H,2,7-8,16-24,39H2,1H3,(H,40,44)(H,41,43)/t30-,32-,38-/m1/s1
• InChIKey: FVCLHJJFJZCVIS-OJYMKHDISA-N
• XLogP: 5.16
• TPSA: 141.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.81
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6668892) is (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NCCCCC(=O)Nc2ccccc2N)=C[C@H](c2cccc3c2Cc2ccccc2-3)[C@H]1CCOCCOCCO.

What is the InChIKey of (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is FVCLHJJFJZCVIS-OJYMKHDISA-N. The full InChI is InChI=1S/C38H47N3O7/c1-2-47-38-30(17-20-45-22-23-46-21-19-42)32(29-13-9-12-28-27-11-4-3-10-26(27)24-31(28)29)25-35(48-38)37(44)40-18-8-7-16-36(43)41-34-15-6-5-14-33(34)39/h3-6,9-15,25,30,32,38,42H,2,7-8,16-24,39H2,1H3,(H,40,44)(H,41,43)/t30-,32-,38-/m1/s1.

What are the key properties of (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 657.81 g/mol, XLogP of 5.16, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S)-N-[5-(2-aminoanilino)-5-oxopentyl]-2-ethoxy-4-(9H-fluoren-1-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6668892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).