3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one

C19H23NO4 — CID 110177068

IUPAC3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCNCCOc2ccccc2OC)c1
InChIInChI=1S/C19H23NO4/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2/h3-9,14,20H,10-13H2,1-2H3
InChIKeyJLOCENSKGHDJIY-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.95
Rot. Bonds10

About 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one

3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one (PubChem CID 110177068) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
PubChem CID110177068
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCNCCOc2ccccc2OC)c1
InChIInChI=1S/C19H23NO4/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2/h3-9,14,20H,10-13H2,1-2H3
InChIKeyJLOCENSKGHDJIY-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110177067
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CID 7720061
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one
CID 14369347
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone
CID 176768272
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one (CID 110177068) is 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)CCNCCOc2ccccc2OC)c1.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one?
The InChIKey is JLOCENSKGHDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one?
3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).