ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate

C15H21NO3 — CID 115141898

IUPACethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate
SMILESCCOC(=O)C(=O)N(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H21NO3/c1-7-19-15(18)14(17)16(6)13-11(4)9(2)8-10(3)12(13)5/h8H,7H2,1-6H3
InChIKeyICSVYIPBQCSULK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.45
Rot. Bonds2

About ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate

ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate (PubChem CID 115141898) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate
PubChem CID115141898
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate
SMILESCCOC(=O)C(=O)N(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H21NO3/c1-7-19-15(18)14(17)16(6)13-11(4)9(2)8-10(3)12(13)5/h8H,7H2,1-6H3
InChIKeyICSVYIPBQCSULK-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115162405
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
N-ethyl-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 131859942
ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
CID 115141938
ethyl 2-[(2-amino-1-benzothiophen-3-yl)-methylamino]-2-oxoacetate
CID 14868516
1-amino-N-methyl-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115189693
ethyl 2-oxo-2-[(2,3,5,6-tetramethylphenyl)methylamino]acetate
CID 115141970
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
ethyl 2-(3-hydroxy-4,5-dimethylphenyl)-2-oxoacetate
CID 117317811
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate (CID 115141898) is ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate is CCOC(=O)C(=O)N(C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate?
The InChIKey is ICSVYIPBQCSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-7-19-15(18)14(17)16(6)13-11(4)9(2)8-10(3)12(13)5/h8H,7H2,1-6H3.
What are the key properties of ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate?
ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate is sourced from PubChem (CID 115141898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).