methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate

C16H25NO4 — CID 63950315

IUPACmethyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C16H25NO4/c1-16(2,3)17-11-12-6-7-13(14(10-12)19-4)21-9-8-15(18)20-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyYQDXBUGERODZES-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.53
Rot. Bonds7

About methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate

methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate (PubChem CID 63950315) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
PubChem CID63950315
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C16H25NO4/c1-16(2,3)17-11-12-6-7-13(14(10-12)19-4)21-9-8-15(18)20-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyYQDXBUGERODZES-UHFFFAOYSA-N
XLogP2.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate 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

methyl 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]propanoate
CID 63949713
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
CID 107742324
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
methyl 3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propanoate
CID 63948895
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate?
The IUPAC name of methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate (CID 63950315) is methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate is COC(=O)CCOc1ccc(CNC(C)(C)C)cc1OC.
What is the InChIKey of methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate?
The InChIKey is YQDXBUGERODZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)17-11-12-6-7-13(14(10-12)19-4)21-9-8-15(18)20-5/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate?
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate has a molecular weight of 295.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate is sourced from PubChem (CID 63950315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).