ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate

C15H23NO3 — CID 115257305

IUPACethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
SMILESCCOC(=O)CN(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-7-19-14(17)9-16(5)13-8-10(2)15(18-6)12(4)11(13)3/h8H,7,9H2,1-6H3
InChIKeyOLCWYELBTHIFNM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.62
Rot. Bonds5

About ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate

ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate (PubChem CID 115257305) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
PubChem CID115257305
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
SMILESCCOC(=O)CN(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-7-19-14(17)9-16(5)13-8-10(2)15(18-6)12(4)11(13)3/h8H,7,9H2,1-6H3
InChIKeyOLCWYELBTHIFNM-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
CID 115251353
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
2-(4-methoxy-N,2,3,5-tetramethylanilino)ethanethiol
CID 115223814
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
2-(4-methoxy-N,2,3,5-tetramethylanilino)acetonitrile
CID 115130861
2-(4-methoxy-N,2,3,5-tetramethylanilino)-2-oxoacetic acid
CID 115141236
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
ethyl 2-(2,4-difluoro-N-methylanilino)acetate
CID 115257298
ethyl 2-(4-methoxy-N-methyl-2-nitroanilino)acetate
CID 62006592
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate?
The IUPAC name of ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate (CID 115257305) is ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate?
The canonical SMILES for ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate is CCOC(=O)CN(C)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate?
The InChIKey is OLCWYELBTHIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-7-19-14(17)9-16(5)13-8-10(2)15(18-6)12(4)11(13)3/h8H,7,9H2,1-6H3.
What are the key properties of ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate?
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate is sourced from PubChem (CID 115257305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).