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

C15H24N2O3 — CID 82258588

IUPAC1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
SMILESCCOCCCNCC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-3-19-9-5-8-17-11-14(18)12-6-7-15(20-4-2)13(16)10-12/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyCQMMQTBDVOLJIH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.87
Rot. Bonds10

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

1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone (PubChem CID 82258588) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
PubChem CID82258588
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
SMILESCCOCCCNCC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-3-19-9-5-8-17-11-14(18)12-6-7-15(20-4-2)13(16)10-12/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyCQMMQTBDVOLJIH-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.87
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-(2-methoxyethylamino)ethanone
CID 82258583
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
2-(cyclopropylmethylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116557746
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone (CID 82258588) is 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone is CCOCCCNCC(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone?
The InChIKey is CQMMQTBDVOLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-19-9-5-8-17-11-14(18)12-6-7-15(20-4-2)13(16)10-12/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone?
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone has a molecular weight of 280.37 g/mol, XLogP of 1.87, 10 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-(3-ethoxypropylamino)ethanone is sourced from PubChem (CID 82258588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).