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

C14H21NO5 — CID 82102049

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCOCCO)cc1OC
InChIInChI=1S/C14H21NO5/c1-18-13-4-3-11(9-14(13)19-2)12(17)10-15-5-7-20-8-6-16/h3-4,9,15-16H,5-8,10H2,1-2H3
InChIKeyYCKRWPDFMWZFPU-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.49
Rot. Bonds10

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

1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (PubChem CID 82102049) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
PubChem CID82102049
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCOCCO)cc1OC
InChIInChI=1S/C14H21NO5/c1-18-13-4-3-11(9-14(13)19-2)12(17)10-15-5-7-20-8-6-16/h3-4,9,15-16H,5-8,10H2,1-2H3
InChIKeyYCKRWPDFMWZFPU-UHFFFAOYSA-N
XLogP0.49
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.49
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

1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
CID 82100927
1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82258219
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55024321
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (CID 82102049) is 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone is COc1ccc(C(=O)CNCCOCCO)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The InChIKey is YCKRWPDFMWZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-13-4-3-11(9-14(13)19-2)12(17)10-15-5-7-20-8-6-16/h3-4,9,15-16H,5-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone has a molecular weight of 283.32 g/mol, XLogP of 0.49, 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]ethanone is sourced from PubChem (CID 82102049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).