2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

C21H26N2O3 — CID 56700186

IUPAC2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-5-3-4-6-20(16)25-15-21(24)22-17-7-9-18(10-8-17)26-19-11-13-23(2)14-12-19/h3-10,19H,11-15H2,1-2H3,(H,22,24)
InChIKeySJLXBCBPXZNOGH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (PubChem CID 56700186) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
PubChem CID56700186
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-5-3-4-6-20(16)25-15-21(24)22-17-7-9-18(10-8-17)26-19-11-13-23(2)14-12-19/h3-10,19H,11-15H2,1-2H3,(H,22,24)
InChIKeySJLXBCBPXZNOGH-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (CID 56700186) is 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is Cc1ccccc1OCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The InChIKey is SJLXBCBPXZNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-5-3-4-6-20(16)25-15-21(24)22-17-7-9-18(10-8-17)26-19-11-13-23(2)14-12-19/h3-10,19H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 56700186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).