2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid

C20H25NO5 — CID 70806396

IUPAC2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(OCCNCc2ccc(OC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H25NO5/c1-20(2,19(22)23)26-18-6-4-15(5-7-18)14-21-12-13-25-17-10-8-16(24-3)9-11-17/h4-11,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyWAZKIIHAXYQLQO-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.11
Rot. Bonds10

About 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid

2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid (PubChem CID 70806396) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
PubChem CID70806396
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(OCCNCc2ccc(OC(C)(C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H25NO5/c1-20(2,19(22)23)26-18-6-4-15(5-7-18)14-21-12-13-25-17-10-8-16(24-3)9-11-17/h4-11,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyWAZKIIHAXYQLQO-UHFFFAOYSA-N
XLogP3.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.11
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

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
CID 141111736
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
2-[3-[[2-[3-(dimethylamino)phenoxy]ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806398
3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
CID 82533370
3-[[4-(3,3-dimethylbutoxy)phenyl]methylamino]propanoic acid
CID 66853305
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid (CID 70806396) is 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid is COc1ccc(OCCNCc2ccc(OC(C)(C)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is WAZKIIHAXYQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-20(2,19(22)23)26-18-6-4-15(5-7-18)14-21-12-13-25-17-10-8-16(24-3)9-11-17/h4-11,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid?
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 359.42 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 70806396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).