1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone

C20H24N2O2 — CID 171781093

IUPAC1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccc1-c1ccc(N(C)C)cc1C(C)=O
InChIInChI=1S/C20H24N2O2/c1-13(23)19-11-15(21(3)4)7-9-17(19)18-10-8-16(22(5)6)12-20(18)14(2)24/h7-12H,1-6H3
InChIKeyWBZQPOGBYYHXRP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone

1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone (PubChem CID 171781093) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
PubChem CID171781093
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)ccc1-c1ccc(N(C)C)cc1C(C)=O
InChIInChI=1S/C20H24N2O2/c1-13(23)19-11-15(21(3)4)7-9-17(19)18-10-8-16(22(5)6)12-20(18)14(2)24/h7-12H,1-6H3
InChIKeyWBZQPOGBYYHXRP-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
1-[3-acetyl-2-chloro-5-(dimethylamino)phenyl]ethanone
CID 15156691
1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385533
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(dimethylamino)-2-hydroxybenzamide
CID 59564012
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone (CID 171781093) is 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone is CC(=O)c1cc(N(C)C)ccc1-c1ccc(N(C)C)cc1C(C)=O.
What is the InChIKey of 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone?
The InChIKey is WBZQPOGBYYHXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(23)19-11-15(21(3)4)7-9-17(19)18-10-8-16(22(5)6)12-20(18)14(2)24/h7-12H,1-6H3.
What are the key properties of 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone?
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 171781093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).