methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate

C15H23NO5 — CID 63950518

IUPACmethyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
SMILESCOCCNCc1ccc(OCCC(=O)OC)c(OC)c1
InChIInChI=1S/C15H23NO5/c1-18-9-7-16-11-12-4-5-13(14(10-12)19-2)21-8-6-15(17)20-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyYSSKQBSUFDFUBR-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.37
Rot. Bonds10

About methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate

methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate (PubChem CID 63950518) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
PubChem CID63950518
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
SMILESCOCCNCc1ccc(OCCC(=O)OC)c(OC)c1
InChIInChI=1S/C15H23NO5/c1-18-9-7-16-11-12-4-5-13(14(10-12)19-2)21-8-6-15(17)20-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyYSSKQBSUFDFUBR-UHFFFAOYSA-N
XLogP1.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.37
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

3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
methyl 3-[2-chloro-4-(propylaminomethyl)phenoxy]propanoate
CID 63949910
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate (CID 63950518) is methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate is COCCNCc1ccc(OCCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate?
The InChIKey is YSSKQBSUFDFUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-9-7-16-11-12-4-5-13(14(10-12)19-2)21-8-6-15(17)20-3/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate?
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate has a molecular weight of 297.35 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate is sourced from PubChem (CID 63950518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).