3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one

C17H27NO2 — CID 63193751

IUPAC3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCN(CC(C)(C)C(=O)c1ccccc1)C(C)COC
InChIInChI=1S/C17H27NO2/c1-6-18(14(2)12-20-5)13-17(3,4)16(19)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3
InChIKeyUZLBJMSGFYDWLA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.25
Rot. Bonds8

About 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one

3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 63193751) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID63193751
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCN(CC(C)(C)C(=O)c1ccccc1)C(C)COC
InChIInChI=1S/C17H27NO2/c1-6-18(14(2)12-20-5)13-17(3,4)16(19)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3
InChIKeyUZLBJMSGFYDWLA-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193414
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid
CID 62017479
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one (CID 63193751) is 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one is CCN(CC(C)(C)C(=O)c1ccccc1)C(C)COC.
What is the InChIKey of 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is UZLBJMSGFYDWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18(14(2)12-20-5)13-17(3,4)16(19)15-10-8-7-9-11-15/h7-11,14H,6,12-13H2,1-5H3.
What are the key properties of 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 63193751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).