1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one

C15H21NO2 — CID 21490372

IUPAC1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCN(C)CC(=O)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(18)12-8-6-11(7-9-12)13(17)10-16(4)5/h6-9H,10H2,1-5H3
InChIKeyYOOKJHWNHNMAPW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one

1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 21490372) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID21490372
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCN(C)CC(=O)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(18)12-8-6-11(7-9-12)13(17)10-16(4)5/h6-9H,10H2,1-5H3
InChIKeyYOOKJHWNHNMAPW-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
CID 73213854
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
CID 145132515
CID 145132515
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
CID 21425486
1-[4-(2-chlorocyclopropyl)phenyl]-2-(dimethylamino)ethanone
CID 170896352
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one (CID 21490372) is 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one is CN(C)CC(=O)c1ccc(C(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is YOOKJHWNHNMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)14(18)12-8-6-11(7-9-12)13(17)10-16(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 21490372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).