ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate

C14H19NO4 — CID 115141968

IUPACethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1cc(C)c(OC)cc1C
InChIInChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-8-11-6-10(3)12(18-4)7-9(11)2/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyZZKQYRUGLBPVFX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds4

About ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate

ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate (PubChem CID 115141968) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
PubChem CID115141968
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1cc(C)c(OC)cc1C
InChIInChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-8-11-6-10(3)12(18-4)7-9(11)2/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyZZKQYRUGLBPVFX-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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

ethyl 2-oxo-2-[(2,4,5-trimethylphenyl)methylamino]acetate
CID 115141983
ethyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoacetate
CID 115141965
ethyl 2-(2,5-dimethoxy-4-methylanilino)-2-oxoacetate
CID 115141832
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
ethyl 2-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]-2-oxoacetate
CID 70658842
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
1-amino-3-[(4,5-dimethoxy-2-methylphenyl)methyl]urea
CID 115192661

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate (CID 115141968) is ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate is CCOC(=O)C(=O)NCc1cc(C)c(OC)cc1C.
What is the InChIKey of ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate?
The InChIKey is ZZKQYRUGLBPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-19-14(17)13(16)15-8-11-6-10(3)12(18-4)7-9(11)2/h6-7H,5,8H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate?
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate has a molecular weight of 265.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate is sourced from PubChem (CID 115141968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).