1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one

C16H25NO3 — CID 79046514

IUPAC1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)N(C)C)cc1OCC
InChIInChI=1S/C16H25NO3/c1-7-19-13-10-9-12(11-14(13)20-8-2)15(18)16(3,4)17(5)6/h9-11H,7-8H2,1-6H3
InChIKeyUBZNCXWOWMBLCN-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one

1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one (PubChem CID 79046514) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
PubChem CID79046514
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)N(C)C)cc1OCC
InChIInChI=1S/C16H25NO3/c1-7-19-13-10-9-12(11-14(13)20-8-2)15(18)16(3,4)17(5)6/h9-11H,7-8H2,1-6H3
InChIKeyUBZNCXWOWMBLCN-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
CID 79202823
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
bis(3,4-diethoxyphenyl)methanone
CID 135325793
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
ethyl 3,4-diethoxybenzoate
CID 586407
3-[(3,4-diethoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227905
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one (CID 79046514) is 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one is CCOc1ccc(C(=O)C(C)(C)N(C)C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is UBZNCXWOWMBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-7-19-13-10-9-12(11-14(13)20-8-2)15(18)16(3,4)17(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one?
1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 79046514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).