2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one

C17H27NO2 — CID 79053644

IUPAC2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)(C)N(CC)CC)cc1
InChIInChI=1S/C17H27NO2/c1-6-13-20-15-11-9-14(10-12-15)16(19)17(4,5)18(7-2)8-3/h9-12H,6-8,13H2,1-5H3
InChIKeyXWBVABJFOROUMY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.78
Rot. Bonds8

About 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one

2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one (PubChem CID 79053644) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
PubChem CID79053644
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)(C)N(CC)CC)cc1
InChIInChI=1S/C17H27NO2/c1-6-13-20-15-11-9-14(10-12-15)16(19)17(4,5)18(7-2)8-3/h9-12H,6-8,13H2,1-5H3
InChIKeyXWBVABJFOROUMY-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
CID 65133875
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one (CID 79053644) is 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)C(C)(C)N(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is XWBVABJFOROUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13-20-15-11-9-14(10-12-15)16(19)17(4,5)18(7-2)8-3/h9-12H,6-8,13H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one?
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 79053644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).