ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate

C18H27NO4 — CID 57065804

IUPACethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1c(CC)cccc1CC
InChIInChI=1S/C18H27NO4/c1-5-14-10-9-11-15(6-2)18(14)19(12-16(20)22-7-3)13-17(21)23-8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyFWGUENASAWRWNH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.74
Rot. Bonds9

About ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate

ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate (PubChem CID 57065804) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
PubChem CID57065804
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1c(CC)cccc1CC
InChIInChI=1S/C18H27NO4/c1-5-14-10-9-11-15(6-2)18(14)19(12-16(20)22-7-3)13-17(21)23-8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyFWGUENASAWRWNH-UHFFFAOYSA-N
XLogP2.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
CID 171623851
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
CID 23275207
ethyl 2-(2-carbamothioyl-N-ethyl-6-methylanilino)acetate
CID 107108088
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
ethyl 2-(N-ethyl-2-methyl-6-nitroanilino)acetate
CID 115554038
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 2-(2-carbamothioyl-6-methyl-N-propylanilino)acetate
CID 107108105
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate?
The IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate (CID 57065804) is ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate is CCOC(=O)CN(CC(=O)OCC)c1c(CC)cccc1CC.
What is the InChIKey of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate?
The InChIKey is FWGUENASAWRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-5-14-10-9-11-15(6-2)18(14)19(12-16(20)22-7-3)13-17(21)23-8-4/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate?
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate has a molecular weight of 321.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate is sourced from PubChem (CID 57065804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).