2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide

C28H36N2O4 — CID 19243777

About 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide

2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide (PubChem CID 19243777) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide
• PubChem CID: 19243777
• Molecular Formula: C28H36N2O4
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.27
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide
• SMILES: CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1
• InChI: InChI=1S/C28H36N2O4/c1-21(33-23-12-10-22(11-13-23)28(2,3)4)27(31)30(19-24-9-8-18-32-24)20-25-14-15-26(34-25)29-16-6-5-7-17-29/h8-15,18,21H,5-7,16-17,19-20H2,1-4H3
• InChIKey: KLQFUEUOJYHOTK-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 59.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide (CID 19243777) is 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide?

The InChIKey is KLQFUEUOJYHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-21(33-23-12-10-22(11-13-23)28(2,3)4)27(31)30(19-24-9-8-18-32-24)20-25-14-15-26(34-25)29-16-6-5-7-17-29/h8-15,18,21H,5-7,16-17,19-20H2,1-4H3.

What are the key properties of 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide?

2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 19243777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).