ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate

C15H23NO3 — CID 55084921

IUPACethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-15(17)14(16-8-9-18-4)13-7-6-11(2)10-12(13)3/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyHBNVEPIVKKJGTA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate

ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate (PubChem CID 55084921) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
PubChem CID55084921
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-15(17)14(16-8-9-18-4)13-7-6-11(2)10-12(13)3/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyHBNVEPIVKKJGTA-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-bromo-2-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62542248
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate (CID 55084921) is ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate is CCOC(=O)C(NCCOC)c1ccc(C)cc1C.
What is the InChIKey of ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
The InChIKey is HBNVEPIVKKJGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-15(17)14(16-8-9-18-4)13-7-6-11(2)10-12(13)3/h6-7,10,14,16H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate?
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 55084921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).