methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate

C16H25NO4 — CID 107714016

IUPACmethyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCOc1ccccc1CCO)C(=O)OC
InChIInChI=1S/C16H25NO4/c1-16(17-2,15(19)20-3)10-6-12-21-14-8-5-4-7-13(14)9-11-18/h4-5,7-8,17-18H,6,9-12H2,1-3H3
InChIKeyVEGWLVMQLFKMSE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.53
Rot. Bonds9

About methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate

methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate (PubChem CID 107714016) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
PubChem CID107714016
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCOc1ccccc1CCO)C(=O)OC
InChIInChI=1S/C16H25NO4/c1-16(17-2,15(19)20-3)10-6-12-21-14-8-5-4-7-13(14)9-11-18/h4-5,7-8,17-18H,6,9-12H2,1-3H3
InChIKeyVEGWLVMQLFKMSE-UHFFFAOYSA-N
XLogP1.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.53
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-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713923
2-(2-pentoxyphenyl)ethanol
CID 91657515
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
CID 81265264
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
CID 107713909
methyl 2-methyl-2-(methylamino)-6-[(2-methylphenyl)methylsulfanyl]hexanoate
CID 62769668
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
tert-butyl N-[(2R)-4-[2-(5-fluoropentoxy)phenyl]-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 141084350
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
ethyl 4-[2-(2-hydroxyethyl)phenoxy]-2,2-dimethyl-3-oxobutanoate
CID 107712930

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate (CID 107714016) is methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate is CNC(C)(CCCOc1ccccc1CCO)C(=O)OC.
What is the InChIKey of methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is VEGWLVMQLFKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(17-2,15(19)20-3)10-6-12-21-14-8-5-4-7-13(14)9-11-18/h4-5,7-8,17-18H,6,9-12H2,1-3H3.
What are the key properties of methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 295.38 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 107714016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).