ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate

C15H20N2O4 — CID 2991099

IUPACethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-5-21-14(20)13(19)16-11-9-7-6-8-10(11)12(18)17-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFXYXWTBHSVPEJX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate

ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate (PubChem CID 2991099) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
PubChem CID2991099
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-5-21-14(20)13(19)16-11-9-7-6-8-10(11)12(18)17-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFXYXWTBHSVPEJX-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
N-tert-butyl-2-[(2-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4926914
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
CID 61408382
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
CID 92683729
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate (CID 2991099) is ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate?
The InChIKey is FXYXWTBHSVPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-21-14(20)13(19)16-11-9-7-6-8-10(11)12(18)17-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate?
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate is sourced from PubChem (CID 2991099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).