methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate

C15H23NO4 — CID 63056407

IUPACmethyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
SMILESCOCCNCc1cccc(OCCCC(=O)OC)c1
InChIInChI=1S/C15H23NO4/c1-18-10-8-16-12-13-5-3-6-14(11-13)20-9-4-7-15(17)19-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3
InChIKeyYGISVTTXCNYNSH-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.75
Rot. Bonds10

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

methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate (PubChem CID 63056407) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
PubChem CID63056407
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
SMILESCOCCNCc1cccc(OCCCC(=O)OC)c1
InChIInChI=1S/C15H23NO4/c1-18-10-8-16-12-13-5-3-6-14(11-13)20-9-4-7-15(17)19-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3
InChIKeyYGISVTTXCNYNSH-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate 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

3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
2-[(3-propoxyphenyl)methylamino]ethyl propanoate
CID 82532842
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate?
The IUPAC name of methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate (CID 63056407) is methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate?
The canonical SMILES for methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate is COCCNCc1cccc(OCCCC(=O)OC)c1.
What is the InChIKey of methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate?
The InChIKey is YGISVTTXCNYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-10-8-16-12-13-5-3-6-14(11-13)20-9-4-7-15(17)19-2/h3,5-6,11,16H,4,7-10,12H2,1-2H3.
What are the key properties of methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate?
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate is sourced from PubChem (CID 63056407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).