N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C32H35NO6 — CID 19448207

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448207) has the molecular formula C32H35NO6 and a molecular weight of 529.63 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19448207
• Molecular Formula: C32H35NO6
• Molecular Weight: 529.63 g/mol
• Exact Mass: 529.25
• IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: CCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4ccc(C(C)C)cc4)o3)cc2)cc1OCC
• InChI: InChI=1S/C32H35NO6/c1-5-35-29-17-7-23(19-31(29)36-6-2)20-37-27-14-10-25(11-15-27)33-32(34)30-18-16-28(39-30)21-38-26-12-8-24(9-13-26)22(3)4/h7-19,22H,5-6,20-21H2,1-4H3,(H,33,34)
• InChIKey: DYRRIJQTQLGLAA-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 79.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.63
LogP ≤ 5	7.61
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-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448207) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

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

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

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

The InChIKey is DYRRIJQTQLGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO6/c1-5-35-29-17-7-23(19-31(29)36-6-2)20-37-27-14-10-25(11-15-27)33-32(34)30-18-16-28(39-30)21-38-26-12-8-24(9-13-26)22(3)4/h7-19,22H,5-6,20-21H2,1-4H3,(H,33,34).

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

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 529.63 g/mol, XLogP of 7.61, 13 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-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).