methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate

C16H25NO4 — CID 63324887

IUPACmethyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
SMILESCOCCNCc1cc(C)ccc1OCCCC(=O)OC
InChIInChI=1S/C16H25NO4/c1-13-6-7-15(21-9-4-5-16(18)20-3)14(11-13)12-17-8-10-19-2/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyXMMWVNJAIGFXCG-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.06
Rot. Bonds10

About methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate

methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate (PubChem CID 63324887) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
PubChem CID63324887
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
SMILESCOCCNCc1cc(C)ccc1OCCCC(=O)OC
InChIInChI=1S/C16H25NO4/c1-13-6-7-15(21-9-4-5-16(18)20-3)14(11-13)12-17-8-10-19-2/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyXMMWVNJAIGFXCG-UHFFFAOYSA-N
XLogP2.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butanoate
CID 63326685
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
CID 63324892
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 63324753
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate?
The IUPAC name of methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate (CID 63324887) is methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate.
What is the SMILES notation for methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate?
The canonical SMILES for methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate is COCCNCc1cc(C)ccc1OCCCC(=O)OC.
What is the InChIKey of methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate?
The InChIKey is XMMWVNJAIGFXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-13-6-7-15(21-9-4-5-16(18)20-3)14(11-13)12-17-8-10-19-2/h6-7,11,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate?
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate is sourced from PubChem (CID 63324887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).