N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide

C26H36N2O4 — CID 45235401

About N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 45235401) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 45235401
• Molecular Formula: C26H36N2O4
• Molecular Weight: 440.58 g/mol
• Exact Mass: 440.27
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
• SMILES: CCOc1ccccc1CN1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1
• InChI: InChI=1S/C26H36N2O4/c1-4-32-24-10-6-5-9-22(24)19-28-15-7-8-20(18-28)11-14-26(29)27-17-21-12-13-23(30-2)16-25(21)31-3/h5-6,9-10,12-13,16,20H,4,7-8,11,14-15,17-19H2,1-3H3,(H,27,29)
• InChIKey: KDMOYRSXZCEQJB-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.58
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 45235401) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide is CCOc1ccccc1CN1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide?

The InChIKey is KDMOYRSXZCEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-4-32-24-10-6-5-9-22(24)19-28-15-7-8-20(18-28)11-14-26(29)27-17-21-12-13-23(30-2)16-25(21)31-3/h5-6,9-10,12-13,16,20H,4,7-8,11,14-15,17-19H2,1-3H3,(H,27,29).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 440.58 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45235401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).