N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide

C21H25ClN2O4 — CID 46562227

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide (PubChem CID 46562227) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide
• PubChem CID: 46562227
• Molecular Formula: C21H25ClN2O4
• Molecular Weight: 404.89 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide
• SMILES: CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC1COc2ccccc2O1
• InChI: InChI=1S/C21H25ClN2O4/c1-4-24(11-15-13-27-18-7-5-6-8-19(18)28-15)12-21(25)23-17-9-14(2)16(22)10-20(17)26-3/h5-10,15H,4,11-13H2,1-3H3,(H,23,25)
• InChIKey: ZNUWJBPJTLCPTD-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.89
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide (CID 46562227) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC1COc2ccccc2O1.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide?

The InChIKey is ZNUWJBPJTLCPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-4-24(11-15-13-27-18-7-5-6-8-19(18)28-15)12-21(25)23-17-9-14(2)16(22)10-20(17)26-3/h5-10,15H,4,11-13H2,1-3H3,(H,23,25).

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide has a molecular weight of 404.89 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide is sourced from PubChem (CID 46562227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).