1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone

C15H24N2O3 — CID 82102048

IUPAC1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCCN(C)C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-17(2)9-5-8-16-11-13(18)12-6-7-14(19-3)15(10-12)20-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyLBNSZSUBAHELBE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.43
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone

1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone (PubChem CID 82102048) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
PubChem CID82102048
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCCN(C)C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-17(2)9-5-8-16-11-13(18)12-6-7-14(19-3)15(10-12)20-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyLBNSZSUBAHELBE-UHFFFAOYSA-N
XLogP1.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone (CID 82102048) is 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone is COc1ccc(C(=O)CNCCCN(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The InChIKey is LBNSZSUBAHELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(2)9-5-8-16-11-13(18)12-6-7-14(19-3)15(10-12)20-4/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone?
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone has a molecular weight of 280.37 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone is sourced from PubChem (CID 82102048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).