2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

C17H27NO2 — CID 63696690

IUPAC2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCOCCN(CC)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-6-18(8-9-20-7-2)12-16(19)17-14(4)10-13(3)11-15(17)5/h10-11H,6-9,12H2,1-5H3
InChIKeyOFICASMGSLSLMH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.15
Rot. Bonds8

About 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 63696690) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID63696690
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCOCCN(CC)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-6-18(8-9-20-7-2)12-16(19)17-14(4)10-13(3)11-15(17)5/h10-11H,6-9,12H2,1-5H3
InChIKeyOFICASMGSLSLMH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795362
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
5-ethoxy-1-(2,4,6-trimethylphenyl)pentane-1,3-dione
CID 43321496
1-(2,4-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63696697
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 82051364
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
N-(3-amino-4-methylphenyl)-2-[2-ethoxyethyl(ethyl)amino]acetamide
CID 63698404
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
propan-2-yl 2-[2-ethoxyethyl(ethyl)amino]acetate
CID 63697938

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (CID 63696690) is 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is CCOCCN(CC)CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is OFICASMGSLSLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18(8-9-20-7-2)12-16(19)17-14(4)10-13(3)11-15(17)5/h10-11H,6-9,12H2,1-5H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 63696690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).