ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate

C16H25NO3 — CID 63039742

IUPACethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate
SMILESCCOC(=O)C(CCOc1cc(C)cc(C)c1C)NC
InChIInChI=1S/C16H25NO3/c1-6-19-16(18)14(17-5)7-8-20-15-10-11(2)9-12(3)13(15)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyHOXAAWPDWKSBLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate

ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate (PubChem CID 63039742) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate
PubChem CID63039742
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate
SMILESCCOC(=O)C(CCOc1cc(C)cc(C)c1C)NC
InChIInChI=1S/C16H25NO3/c1-6-19-16(18)14(17-5)7-8-20-15-10-11(2)9-12(3)13(15)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyHOXAAWPDWKSBLM-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)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

2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
methyl 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63033342
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
CID 63038782
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
N-[2-(2,3,5-trimethylphenoxy)ethyl]pentan-2-amine
CID 62598036
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
methyl 2-(methylamino)-4-(5-methyl-2-nitrophenoxy)butanoate
CID 63040907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate (CID 63039742) is ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate is CCOC(=O)C(CCOc1cc(C)cc(C)c1C)NC.
What is the InChIKey of ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate?
The InChIKey is HOXAAWPDWKSBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-19-16(18)14(17-5)7-8-20-15-10-11(2)9-12(3)13(15)4/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate?
ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate has a molecular weight of 279.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate is sourced from PubChem (CID 63039742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).