2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone

C17H28N2O — CID 82101673

IUPAC2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCCN(CC)CCCNCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-19(6-2)11-7-10-18-13-17(20)16-9-8-14(3)12-15(16)4/h8-9,12,18H,5-7,10-11,13H2,1-4H3
InChIKeyQBGIDSYEFVHXOM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.81
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone

2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone (PubChem CID 82101673) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone
PubChem CID82101673
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCCN(CC)CCCNCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-19(6-2)11-7-10-18-13-17(20)16-9-8-14(3)12-15(16)4/h8-9,12,18H,5-7,10-11,13H2,1-4H3
InChIKeyQBGIDSYEFVHXOM-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone (CID 82101673) is 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone is CCN(CC)CCCNCC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is QBGIDSYEFVHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19(6-2)11-7-10-18-13-17(20)16-9-8-14(3)12-15(16)4/h8-9,12,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone?
2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 82101673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).