1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

C15H23NO3 — CID 116566524

IUPAC1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)NC)cc1OCC
InChIInChI=1S/C15H23NO3/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(17)15(3,4)16-5/h8-10,16H,6-7H2,1-5H3
InChIKeyAYWMISOHOZEXGC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566524) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566524
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)NC)cc1OCC
InChIInChI=1S/C15H23NO3/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(17)15(3,4)16-5/h8-10,16H,6-7H2,1-5H3
InChIKeyAYWMISOHOZEXGC-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-(dimethylamino)-2-methylpropan-1-one
CID 79046514
bis(3,4-diethoxyphenyl)methanone
CID 135325793
1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566286
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566524) is 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is CCOc1ccc(C(=O)C(C)(C)NC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is AYWMISOHOZEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(17)15(3,4)16-5/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).