2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone

C18H30N2O — CID 102995078

IUPAC2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCCN(CCCN(C)C)CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-20(13-7-12-19(4)5)14-18(21)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyWRMDIPZETOHLRT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.27
Rot. Bonds9

About 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone

2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 102995078) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID102995078
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCCN(CCCN(C)C)CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-20(13-7-12-19(4)5)14-18(21)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyWRMDIPZETOHLRT-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 2056892
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone (CID 102995078) is 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone is CCN(CCCN(C)C)CC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is WRMDIPZETOHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-20(13-7-12-19(4)5)14-18(21)17-10-8-16(9-11-17)15(2)3/h8-11,15H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone?
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 290.45 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 102995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).