3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride

C16H26Cl2N2O2 — CID 53349627

IUPAC3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
SMILESCN(C)CCC(=O)c1cccc(C(=O)CCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H24N2O2.2ClH/c1-17(2)10-8-15(19)13-6-5-7-14(12-13)16(20)9-11-18(3)4;;/h5-7,12H,8-11H2,1-4H3;2*1H
InChIKeyHLVMHFJDFSXKHN-UHFFFAOYSA-N
MW349.30 g/mol
LogP2.80
Rot. Bonds8

About 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride

3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride (PubChem CID 53349627) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
PubChem CID53349627
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC Name3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
SMILESCN(C)CCC(=O)c1cccc(C(=O)CCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H24N2O2.2ClH/c1-17(2)10-8-15(19)13-6-5-7-14(12-13)16(20)9-11-18(3)4;;/h5-7,12H,8-11H2,1-4H3;2*1H
InChIKeyHLVMHFJDFSXKHN-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
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CID 73213853
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
CID 63700510
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
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1-(9-bromophenanthren-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 54609166
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(3-methoxyphenyl)butane-1,4-dione
CID 110611602
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride?
The IUPAC name of 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride (CID 53349627) is 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride is CN(C)CCC(=O)c1cccc(C(=O)CCN(C)C)c1.Cl.Cl.
What is the InChIKey of 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride?
The InChIKey is HLVMHFJDFSXKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.2ClH/c1-17(2)10-8-15(19)13-6-5-7-14(12-13)16(20)9-11-18(3)4;;/h5-7,12H,8-11H2,1-4H3;2*1H.
What are the key properties of 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride?
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride has a molecular weight of 349.30 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride is sourced from PubChem (CID 53349627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).