2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide

C19H23NO4 — CID 95172596

IUPAC2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-22-16-8-10-17(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21)
InChIKeyIGPNIFHUSTWVRO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 95172596) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID95172596
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-22-16-8-10-17(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21)
InChIKeyIGPNIFHUSTWVRO-UHFFFAOYSA-N
XLogP2.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 95172596) is 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1ccc(OCC(=O)NCCCc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is IGPNIFHUSTWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-8-10-17(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-18(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 95172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).