N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C31H32FNO4 — CID 4649390

About N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 4649390) has the molecular formula C31H32FNO4 and a molecular weight of 501.60 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 4649390
• Molecular Formula: C31H32FNO4
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.23
• IUPAC Name: N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc(CN(CCC(c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(=O)c2ccco2)cc1
• InChI: InChI=1S/C31H32FNO4/c1-22(2)37-28-16-10-25(11-17-28)29(24-8-12-26(32)13-9-24)18-19-33(31(34)30-5-4-20-36-30)21-23-6-14-27(35-3)15-7-23/h4-17,20,22,29H,18-19,21H2,1-3H3
• InChIKey: KSGSXCOUMIVTFK-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 4649390) is N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(CCC(c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(=O)c2ccco2)cc1.

What is the InChIKey of N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is KSGSXCOUMIVTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FNO4/c1-22(2)37-28-16-10-25(11-17-28)29(24-8-12-26(32)13-9-24)18-19-33(31(34)30-5-4-20-36-30)21-23-6-14-27(35-3)15-7-23/h4-17,20,22,29H,18-19,21H2,1-3H3.

What are the key properties of N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).