N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

C₃₈H₃₉NO₆ — CID 19457119

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (PubChem CID 19457119) has the molecular formula C₃₈H₃₉NO₆ and a molecular weight of 605.73 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
• PubChem CID: 19457119
• Molecular Formula: C₃₈H₃₉NO₆
• Molecular Weight: 605.73 g/mol
• Exact Mass: 605.28
• IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
• SMILES: CCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4ccc(C(C)(C)c5ccccc5)cc4)o3)cc2)cc1OCC
• InChI: InChI=1S/C38H39NO6/c1-5-41-34-22-12-27(24-36(34)42-6-2)25-43-32-19-15-30(16-20-32)39-37(40)35-23-21-33(45-35)26-44-31-17-13-29(14-18-31)38(3,4)28-10-8-7-9-11-28/h7-24H,5-6,25-26H2,1-4H3,(H,39,40)
• InChIKey: ANWMBYBYZRXVQT-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 79.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.73
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (CID 19457119) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is CCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4ccc(C(C)(C)c5ccccc5)cc4)o3)cc2)cc1OCC.

What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?

The InChIKey is ANWMBYBYZRXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NO6/c1-5-41-34-22-12-27(24-36(34)42-6-2)25-43-32-19-15-30(16-20-32)39-37(40)35-23-21-33(45-35)26-44-31-17-13-29(14-18-31)38(3,4)28-10-8-7-9-11-28/h7-24H,5-6,25-26H2,1-4H3,(H,39,40).

What are the key properties of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide has a molecular weight of 605.73 g/mol, XLogP of 8.81, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is sourced from PubChem (CID 19457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19457119 — identifiers, structure, computed properties (public domain)

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