ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate

C20H23NO3 — CID 72736950

IUPACethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23NO3/c1-5-24-20(23)18(17-14(3)11-13(2)12-15(17)4)21-19(22)16-9-7-6-8-10-16/h6-12,18H,5H2,1-4H3,(H,21,22)
InChIKeyLXAWODGIHCXMFA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.65
Rot. Bonds5

About ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate

ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 72736950) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
PubChem CID72736950
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23NO3/c1-5-24-20(23)18(17-14(3)11-13(2)12-15(17)4)21-19(22)16-9-7-6-8-10-16/h6-12,18H,5H2,1-4H3,(H,21,22)
InChIKeyLXAWODGIHCXMFA-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
CID 135314125
ethyl 2-(2,2-dimethylpropanoylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 72737307
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
CID 72734768
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
diethyl 3,4-diacetyl-2,5-dibenzamidohex-3-enedioate
CID 138392491
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate (CID 72736950) is ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is LXAWODGIHCXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-24-20(23)18(17-14(3)11-13(2)12-15(17)4)21-19(22)16-9-7-6-8-10-16/h6-12,18H,5H2,1-4H3,(H,21,22).
What are the key properties of ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate?
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 325.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 72736950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).