methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate

C14H19NO4 — CID 115142563

IUPACmethyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H19NO4/c1-9-7-10(2)11(12(8-9)18-3)5-6-15-13(16)14(17)19-4/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyJUBVHFPROQYIJH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate

methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate (PubChem CID 115142563) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
PubChem CID115142563
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H19NO4/c1-9-7-10(2)11(12(8-9)18-3)5-6-15-13(16)14(17)19-4/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyJUBVHFPROQYIJH-UHFFFAOYSA-N
XLogP1.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134261
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate (CID 115142563) is methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate is COC(=O)C(=O)NCCc1c(C)cc(C)cc1OC.
What is the InChIKey of methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate?
The InChIKey is JUBVHFPROQYIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-10(2)11(12(8-9)18-3)5-6-15-13(16)14(17)19-4/h7-8H,5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate?
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 115142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).