1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one

C15H23NO5 — CID 82100927

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
SMILESCOc1ccc(C(=O)C(C)NCCOCCO)cc1OC
InChIInChI=1S/C15H23NO5/c1-11(16-6-8-21-9-7-17)15(18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,16-17H,6-9H2,1-3H3
InChIKeyPQGXUUIQDQDKGO-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.87
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one

1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one (PubChem CID 82100927) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
PubChem CID82100927
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
SMILESCOc1ccc(C(=O)C(C)NCCOCCO)cc1OC
InChIInChI=1S/C15H23NO5/c1-11(16-6-8-21-9-7-17)15(18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,16-17H,6-9H2,1-3H3
InChIKeyPQGXUUIQDQDKGO-UHFFFAOYSA-N
XLogP0.87
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100685
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 82100905
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
1-(3,4-dimethoxyphenyl)-3-methylbutane-1,2-dione
CID 94686678
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one (CID 82100927) is 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one is COc1ccc(C(=O)C(C)NCCOCCO)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one?
The InChIKey is PQGXUUIQDQDKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-11(16-6-8-21-9-7-17)15(18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,16-17H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one?
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one has a molecular weight of 297.35 g/mol, XLogP of 0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one is sourced from PubChem (CID 82100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).