1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone

C13H20N2O3 — CID 82258583

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCCOC)cc1N
InChIInChI=1S/C13H20N2O3/c1-3-18-13-5-4-10(8-11(13)14)12(16)9-15-6-7-17-2/h4-5,8,15H,3,6-7,9,14H2,1-2H3
InChIKeyCDAORTQLYVLGDS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.09
Rot. Bonds8

About 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone

1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone (PubChem CID 82258583) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
PubChem CID82258583
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCCOC)cc1N
InChIInChI=1S/C13H20N2O3/c1-3-18-13-5-4-10(8-11(13)14)12(16)9-15-6-7-17-2/h4-5,8,15H,3,6-7,9,14H2,1-2H3
InChIKeyCDAORTQLYVLGDS-UHFFFAOYSA-N
XLogP1.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone (CID 82258583) is 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone is CCOc1ccc(C(=O)CNCCOC)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is CDAORTQLYVLGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-13-5-4-10(8-11(13)14)12(16)9-15-6-7-17-2/h4-5,8,15H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone?
1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 252.31 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 82258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).