N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide

C92H102N12O16 — CID 132539184

About N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide

N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide (PubChem CID 132539184) has the molecular formula C92H102N12O16 and a molecular weight of 1631.90 g/mol. Its IUPAC name is N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
• PubChem CID: 132539184
• Molecular Formula: C92H102N12O16
• Molecular Weight: 1631.90 g/mol
• Exact Mass: 1630.75
• IUPAC Name: N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
• SMILES: O=C(NCCOCCOCCNCc1ccco1)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCOCCOCCNCc5ccco5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCOCCOCCNCc5ccco5)cc4)c4nc(c(-c5ccc(C(=O)NCCOCCOCCNCc6ccco6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C92H102N12O16/c105-89(97-37-49-113-57-53-109-45-33-93-61-73-5-1-41-117-73)69-17-9-65(10-18-69)85-77-25-27-79(101-77)86(66-11-19-70(20-12-66)90(106)98-38-50-114-58-54-110-46-34-94-62-74-6-2-42-118-74)81-29-31-83(103-81)88(68-15-23-72(24-16-68)92(108)100-40-52-116-60-56-112-48-36-96-64-76-8-4-44-120-76)84-32-30-82(104-84)87(80-28-26-78(85)102-80)67-13-21-71(22-14-67)91(107)99-39-51-115-59-55-111-47-35-95-63-75-7-3-43-119-75/h1-32,41-44,93-96,101,104H,33-40,45-64H2,(H,97,105)(H,98,106)(H,99,107)(H,100,108)/b85-77-,85-78-,86-79-,86-81-,87-80-,87-82-,88-83-,88-84-
• InChIKey: GPGZNVXGPNXGKQ-NBDQVFEOSA-N
• XLogP: 11.91
• TPSA: 348.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 52
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1631.90
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide?

The IUPAC name of N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide (CID 132539184) is N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide.

What is the SMILES notation for N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide?

The canonical SMILES for N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide is O=C(NCCOCCOCCNCc1ccco1)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCOCCOCCNCc5ccco5)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCOCCOCCNCc5ccco5)cc4)c4nc(c(-c5ccc(C(=O)NCCOCCOCCNCc6ccco6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide?

The InChIKey is GPGZNVXGPNXGKQ-NBDQVFEOSA-N. The full InChI is InChI=1S/C92H102N12O16/c105-89(97-37-49-113-57-53-109-45-33-93-61-73-5-1-41-117-73)69-17-9-65(10-18-69)85-77-25-27-79(101-77)86(66-11-19-70(20-12-66)90(106)98-38-50-114-58-54-110-46-34-94-62-74-6-2-42-118-74)81-29-31-83(103-81)88(68-15-23-72(24-16-68)92(108)100-40-52-116-60-56-112-48-36-96-64-76-8-4-44-120-76)84-32-30-82(104-84)87(80-28-26-78(85)102-80)67-13-21-71(22-14-67)91(107)99-39-51-115-59-55-111-47-35-95-63-75-7-3-43-119-75/h1-32,41-44,93-96,101,104H,33-40,45-64H2,(H,97,105)(H,98,106)(H,99,107)(H,100,108)/b85-77-,85-78-,86-79-,86-81-,87-80-,87-82-,88-83-,88-84-.

What are the key properties of N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide?

N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide has a molecular weight of 1631.90 g/mol, XLogP of 11.91, 52 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethyl]-4-[10,15,20-tris[4-[2-[2-[2-(furan-2-ylmethylamino)ethoxy]ethoxy]ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide is sourced from PubChem (CID 132539184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).