methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate

C15H23NO5 — CID 62541892

IUPACmethyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCOCCNC(C)(C(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-7-6-11(19-3)10-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyBZXASWZBIJYUDC-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.33
Rot. Bonds8

About methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate

methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate (PubChem CID 62541892) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
PubChem CID62541892
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCOCCNC(C)(C(=O)OC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-7-6-11(19-3)10-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyBZXASWZBIJYUDC-UHFFFAOYSA-N
XLogP1.33
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62540483
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
methyl 3-(2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643628
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The IUPAC name of methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate (CID 62541892) is methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate.
What is the SMILES notation for methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The canonical SMILES for methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate is COCCNC(C)(C(=O)OC)c1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The InChIKey is BZXASWZBIJYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-7-6-11(19-3)10-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate has a molecular weight of 297.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 62541892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).