2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide

C24H27ClN2O4 — CID 19243794

About 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide (PubChem CID 19243794) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
• PubChem CID: 19243794
• Molecular Formula: C24H27ClN2O4
• Molecular Weight: 442.94 g/mol
• Exact Mass: 442.17
• IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
• SMILES: Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1
• InChI: InChI=1S/C24H27ClN2O4/c1-18-14-19(25)7-9-22(18)30-17-23(28)27(15-20-6-5-13-29-20)16-21-8-10-24(31-21)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12,15-17H2,1H3
• InChIKey: QZWSKLCMLUWSRB-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 59.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.94
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?

The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide (CID 19243794) is 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?

The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1.

What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?

The InChIKey is QZWSKLCMLUWSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-18-14-19(25)7-9-22(18)30-17-23(28)27(15-20-6-5-13-29-20)16-21-8-10-24(31-21)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12,15-17H2,1H3.

What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?

2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide has a molecular weight of 442.94 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 19243794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).