2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone

C14H21NO3 — CID 81058182

IUPAC2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCCOCCN(C)CC(=O)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-18-10-9-15(2)11-13(16)12-7-5-6-8-14(12)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyZMGNKDOJOAULNQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.85
Rot. Bonds8

About 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone

2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 81058182) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID81058182
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCCOCCN(C)CC(=O)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-18-10-9-15(2)11-13(16)12-7-5-6-8-14(12)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyZMGNKDOJOAULNQ-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
CID 18333896
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
CID 86593207
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone (CID 81058182) is 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone is CCOCCN(C)CC(=O)c1ccccc1OC.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is ZMGNKDOJOAULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-10-9-15(2)11-13(16)12-7-5-6-8-14(12)17-3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 81058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).