methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate

C16H25NO3 — CID 63041617

IUPACmethyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
SMILESCCC(C)c1ccccc1OCCC(NC)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-5-12(2)13-8-6-7-9-15(13)20-11-10-14(17-3)16(18)19-4/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyOENWEEHMXVSYLC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds8

About methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate

methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate (PubChem CID 63041617) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
PubChem CID63041617
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
SMILESCCC(C)c1ccccc1OCCC(NC)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-5-12(2)13-8-6-7-9-15(13)20-11-10-14(17-3)16(18)19-4/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyOENWEEHMXVSYLC-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)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

4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
methyl 4-(4-ethyl-2-methoxyphenoxy)-2-(methylamino)butanoate
CID 107668050
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate (CID 63041617) is methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate is CCC(C)c1ccccc1OCCC(NC)C(=O)OC.
What is the InChIKey of methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate?
The InChIKey is OENWEEHMXVSYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12(2)13-8-6-7-9-15(13)20-11-10-14(17-3)16(18)19-4/h6-9,12,14,17H,5,10-11H2,1-4H3.
What are the key properties of methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate?
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate has a molecular weight of 279.38 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate is sourced from PubChem (CID 63041617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).