tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate

C14H19NO5 — CID 174759761

IUPACtert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
SMILESCOc1ccc(OC)c(NC(=O)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)12(16)15-10-8-9(18-4)6-7-11(10)19-5/h6-8H,1-5H3,(H,15,16)
InChIKeyVFTZTFYSMZECHP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate

tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate (PubChem CID 174759761) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nametert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
PubChem CID174759761
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nametert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
SMILESCOc1ccc(OC)c(NC(=O)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)12(16)15-10-8-9(18-4)6-7-11(10)19-5/h6-8H,1-5H3,(H,15,16)
InChIKeyVFTZTFYSMZECHP-UHFFFAOYSA-N
XLogP1.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
tert-butyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 102421540
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
tert-butyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3866064
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The IUPAC name of tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate (CID 174759761) is tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate.
What is the SMILES notation for tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The canonical SMILES for tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate is COc1ccc(OC)c(NC(=O)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
The InChIKey is VFTZTFYSMZECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(17)12(16)15-10-8-9(18-4)6-7-11(10)19-5/h6-8H,1-5H3,(H,15,16).
What are the key properties of tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate?
tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate has a molecular weight of 281.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,5-dimethoxyanilino)-2-oxoacetate is sourced from PubChem (CID 174759761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).