N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide

C38H36N2O6 — CID 18007930

About N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide

N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide (PubChem CID 18007930) has the molecular formula C38H36N2O6 and a molecular weight of 616.71 g/mol. Its IUPAC name is N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
• PubChem CID: 18007930
• Molecular Formula: C38H36N2O6
• Molecular Weight: 616.71 g/mol
• Exact Mass: 616.26
• IUPAC Name: N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
• SMILES: O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12)c1ccco1
• InChI: InChI=1S/C38H36N2O6/c41-37(35-11-5-23-45-35)39-19-17-29-9-3-7-27-13-15-31(25-33(27)29)43-21-1-2-22-44-32-16-14-28-8-4-10-30(34(28)26-32)18-20-40-38(42)36-12-6-24-46-36/h3-16,23-26H,1-2,17-22H2,(H,39,41)(H,40,42)
• InChIKey: YFHIGHYANADMSA-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 102.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.71
LogP ≤ 5	7.36
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 N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide (CID 18007930) is N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide is O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12)c1ccco1.

What is the InChIKey of N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide?

The InChIKey is YFHIGHYANADMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O6/c41-37(35-11-5-23-45-35)39-19-17-29-9-3-7-27-13-15-31(25-33(27)29)43-21-1-2-22-44-32-16-14-28-8-4-10-30(34(28)26-32)18-20-40-38(42)36-12-6-24-46-36/h3-16,23-26H,1-2,17-22H2,(H,39,41)(H,40,42).

What are the key properties of N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide?

N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 616.71 g/mol, XLogP of 7.36, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 18007930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).