2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one

C17H27NO4 — CID 97356076

IUPAC2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCCOC(CNC(C)(C)C(=O)c1ccc(OC)cc1)OCC
InChIInChI=1S/C17H27NO4/c1-6-21-15(22-7-2)12-18-17(3,4)16(19)13-8-10-14(20-5)11-9-13/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeySKDWPJRQTHGJFM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.65
Rot. Bonds10

About 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one

2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 97356076) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID97356076
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCCOC(CNC(C)(C)C(=O)c1ccc(OC)cc1)OCC
InChIInChI=1S/C17H27NO4/c1-6-21-15(22-7-2)12-18-17(3,4)16(19)13-8-10-14(20-5)11-9-13/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeySKDWPJRQTHGJFM-UHFFFAOYSA-N
XLogP2.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
1-(4-methoxyphenyl)-2-(1-methoxypropan-2-ylamino)-2-methylpropan-1-one
CID 19866805
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2,7-bis[(tert-butylamino)methyl]-1,8-bis(4-methoxyphenyl)octane-1,8-dione
CID 45126954
2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
CID 116747186
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanal
CID 121013341

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one (CID 97356076) is 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one is CCOC(CNC(C)(C)C(=O)c1ccc(OC)cc1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is SKDWPJRQTHGJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-6-21-15(22-7-2)12-18-17(3,4)16(19)13-8-10-14(20-5)11-9-13/h8-11,15,18H,6-7,12H2,1-5H3.
What are the key properties of 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 97356076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).