2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid

C15H23NO5 — CID 63055961

IUPAC2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
SMILESCCOc1cccc(CNCCOC)c1OC(C)C(=O)O
InChIInChI=1S/C15H23NO5/c1-4-20-13-7-5-6-12(10-16-8-9-19-3)14(13)21-11(2)15(17)18/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,18)
InChIKeyWXJCBFGZPYEXAW-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.67
Rot. Bonds10

About 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid

2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid (PubChem CID 63055961) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
PubChem CID63055961
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
SMILESCCOc1cccc(CNCCOC)c1OC(C)C(=O)O
InChIInChI=1S/C15H23NO5/c1-4-20-13-7-5-6-12(10-16-8-9-19-3)14(13)21-11(2)15(17)18/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,18)
InChIKeyWXJCBFGZPYEXAW-UHFFFAOYSA-N
XLogP1.67
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 63057649
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 63056439
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]pentanoic acid
CID 83034882
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid (CID 63055961) is 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid is CCOc1cccc(CNCCOC)c1OC(C)C(=O)O.
What is the InChIKey of 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The InChIKey is WXJCBFGZPYEXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-20-13-7-5-6-12(10-16-8-9-19-3)14(13)21-11(2)15(17)18/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid is sourced from PubChem (CID 63055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).