5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide

C28H34N2O3 — CID 19456697

About 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 19456697) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
• PubChem CID: 19456697
• Molecular Formula: C28H34N2O3
• Molecular Weight: 446.59 g/mol
• Exact Mass: 446.26
• IUPAC Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)c1
• InChI: InChI=1S/C28H34N2O3/c1-20(2)25-13-7-21(3)17-27(25)32-19-24-12-14-26(33-24)28(31)29-23-10-8-22(9-11-23)18-30-15-5-4-6-16-30/h7-14,17,20H,4-6,15-16,18-19H2,1-3H3,(H,29,31)
• InChIKey: AFOQDQZLCIJUQG-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide (CID 19456697) is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)c1.

What is the InChIKey of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?

The InChIKey is AFOQDQZLCIJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-20(2)25-13-7-21(3)17-27(25)32-19-24-12-14-26(33-24)28(31)29-23-10-8-22(9-11-23)18-30-15-5-4-6-16-30/h7-14,17,20H,4-6,15-16,18-19H2,1-3H3,(H,29,31).

What are the key properties of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).