1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone

C17H19NO3 — CID 20677050

IUPAC1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone
SMILESCNc1ccc(OCC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18-15-7-9-16(10-8-15)21-12-17(19)14-5-3-13(4-6-14)11-20-2/h3-10,18H,11-12H2,1-2H3
InChIKeyJLESABIVZSUMQQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone

1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone (PubChem CID 20677050) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone
PubChem CID20677050
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone
SMILESCNc1ccc(OCC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-18-15-7-9-16(10-8-15)21-12-17(19)14-5-3-13(4-6-14)11-20-2/h3-10,18H,11-12H2,1-2H3
InChIKeyJLESABIVZSUMQQ-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430
methyl 4-[[(E)-1-(4-phenacyloxyphenyl)ethylideneamino]oxymethyl]benzoate
CID 86292404
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone (CID 20677050) is 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone is CNc1ccc(OCC(=O)c2ccc(COC)cc2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone?
The InChIKey is JLESABIVZSUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18-15-7-9-16(10-8-15)21-12-17(19)14-5-3-13(4-6-14)11-20-2/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone?
1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone has a molecular weight of 285.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone is sourced from PubChem (CID 20677050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).