2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C22H26N2O4 — CID 26036986

IUPAC2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-17(25)19-5-9-21(10-6-19)28-16-22(26)23(2)15-18-3-7-20(8-4-18)24-11-13-27-14-12-24/h3-10H,11-16H2,1-2H3
InChIKeyGIDFLUXMXWKIDQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 26036986) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID26036986
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-17(25)19-5-9-21(10-6-19)28-16-22(26)23(2)15-18-3-7-20(8-4-18)24-11-13-27-14-12-24/h3-10H,11-16H2,1-2H3
InChIKeyGIDFLUXMXWKIDQ-UHFFFAOYSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 26036986) is 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is GIDFLUXMXWKIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-17(25)19-5-9-21(10-6-19)28-16-22(26)23(2)15-18-3-7-20(8-4-18)24-11-13-27-14-12-24/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 26036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).