2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone

C18H21NO3 — CID 82101214

IUPAC2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
SMILESCOc1ccc(OCCNCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-14-3-5-15(6-4-14)18(20)13-19-11-12-22-17-9-7-16(21-2)8-10-17/h3-10,19H,11-13H2,1-2H3
InChIKeyWUBFXCNROAFOAW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone

2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone (PubChem CID 82101214) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
PubChem CID82101214
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
SMILESCOc1ccc(OCCNCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-14-3-5-15(6-4-14)18(20)13-19-11-12-22-17-9-7-16(21-2)8-10-17/h3-10,19H,11-13H2,1-2H3
InChIKeyWUBFXCNROAFOAW-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
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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Related Compounds

2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone (CID 82101214) is 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone is COc1ccc(OCCNCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone?
The InChIKey is WUBFXCNROAFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-3-5-15(6-4-14)18(20)13-19-11-12-22-17-9-7-16(21-2)8-10-17/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone?
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 82101214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).