ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate

C12H16N2O3 — CID 61408382

IUPACethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1CNC
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)11(15)14-10-7-5-4-6-9(10)8-13-2/h4-7,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyDYDLWJULAWCVKA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds4

About ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate

ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate (PubChem CID 61408382) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
PubChem CID61408382
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccccc1CNC
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)11(15)14-10-7-5-4-6-9(10)8-13-2/h4-7,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyDYDLWJULAWCVKA-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
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

ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
decyl 2-(2-ethylanilino)-2-oxoacetate
CID 6423339
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
2,2-dimethyl-3-[[2-(methylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64836949
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
CID 15066353
(2-ethoxy-2-oxoethyl) 2-oxo-2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]acetate
CID 12557695
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate (CID 61408382) is ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccccc1CNC.
What is the InChIKey of ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate?
The InChIKey is DYDLWJULAWCVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(16)11(15)14-10-7-5-4-6-9(10)8-13-2/h4-7,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate?
ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate has a molecular weight of 236.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate is sourced from PubChem (CID 61408382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).