2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one

C15H23NO3 — CID 82100764

IUPAC2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-11-5-10-16-12(2)15(17)13-6-8-14(18-3)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyOZAXWICZJBZXEZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds9

About 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one

2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 82100764) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
PubChem CID82100764
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOCCCNC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-19-11-5-10-16-12(2)15(17)13-6-8-14(18-3)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyOZAXWICZJBZXEZ-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 101014754
1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100560
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
2-(3-methoxypropylamino)-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82101067
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
2-(ethylamino)-1-(4-methoxyphenyl)-3-methylbutan-1-one
CID 112512226

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one (CID 82100764) is 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one is CCOCCCNC(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is OZAXWICZJBZXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-11-5-10-16-12(2)15(17)13-6-8-14(18-3)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one?
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82100764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).