methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate

C15H23NO5 — CID 62540483

IUPACmethyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCOCCNC(C)(C(=O)OC)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-10-11(19-3)6-7-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyVXXFSCOTNDIUDX-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.33
Rot. Bonds8

About methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate

methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate (PubChem CID 62540483) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
PubChem CID62540483
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCOCCNC(C)(C(=O)OC)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-10-11(19-3)6-7-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyVXXFSCOTNDIUDX-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'}

Analyze methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541892
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
methyl 3-(2,5-dimethoxyphenyl)-3-(propylamino)butanoate
CID 65236015
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The IUPAC name of methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate (CID 62540483) is methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate.
What is the SMILES notation for methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The canonical SMILES for methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate is COCCNC(C)(C(=O)OC)c1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
The InChIKey is VXXFSCOTNDIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(14(17)21-5,16-8-9-18-2)12-10-11(19-3)6-7-13(12)20-4/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate?
methyl 2-(2,5-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-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 62540483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).