3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one

C25H34N2O2 — CID 73213853

IUPAC3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CCN(C)C)c2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,21-12-10-19(11-13-21)23(28)14-16-26(3)4)22-9-7-8-20(18-22)24(29)15-17-27(5)6/h7-13,18H,14-17H2,1-6H3
InChIKeyPHGXQBGFFSPSRI-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.28
Rot. Bonds10

About 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one

3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one (PubChem CID 73213853) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one
PubChem CID73213853
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one
SMILESCN(C)CCC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CCN(C)C)c2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,21-12-10-19(11-13-21)23(28)14-16-26(3)4)22-9-7-8-20(18-22)24(29)15-17-27(5)6/h7-13,18H,14-17H2,1-6H3
InChIKeyPHGXQBGFFSPSRI-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
CID 73213854
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
CID 63700510
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 66721962
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(9-bromophenanthren-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 54609166
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one (CID 73213853) is 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one is CN(C)CCC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CCN(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one?
The InChIKey is PHGXQBGFFSPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-25(2,21-12-10-19(11-13-21)23(28)14-16-26(3)4)22-9-7-8-20(18-22)24(29)15-17-27(5)6/h7-13,18H,14-17H2,1-6H3.
What are the key properties of 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one?
3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one has a molecular weight of 394.56 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-[2-[3-[3-(dimethylamino)propanoyl]phenyl]propan-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 73213853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).