3-(2-amino-5-methylphenoxy)-2-methylpropanamide

C11H16N2O2 — CID 43311815

IUPAC3-(2-amino-5-methylphenoxy)-2-methylpropanamide
SMILESCc1ccc(N)c(OCC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFEOOJGFQBWMDTE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.08
Rot. Bonds4

About 3-(2-amino-5-methylphenoxy)-2-methylpropanamide

3-(2-amino-5-methylphenoxy)-2-methylpropanamide (PubChem CID 43311815) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-methylphenoxy)-2-methylpropanamide
PubChem CID43311815
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-amino-5-methylphenoxy)-2-methylpropanamide
SMILESCc1ccc(N)c(OCC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFEOOJGFQBWMDTE-UHFFFAOYSA-N
XLogP1.08
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
3-(3-amino-2-methylphenoxy)-2-methylpropanamide
CID 43437797
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide
CID 83144792
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326
2-(fluoromethoxy)-4-methylaniline
CID 123529275
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenoxy)-2-methylpropanamide?
The IUPAC name of 3-(2-amino-5-methylphenoxy)-2-methylpropanamide (CID 43311815) is 3-(2-amino-5-methylphenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(2-amino-5-methylphenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(2-amino-5-methylphenoxy)-2-methylpropanamide is Cc1ccc(N)c(OCC(C)C(N)=O)c1.
What is the InChIKey of 3-(2-amino-5-methylphenoxy)-2-methylpropanamide?
The InChIKey is FEOOJGFQBWMDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14/h3-5,8H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-(2-amino-5-methylphenoxy)-2-methylpropanamide?
3-(2-amino-5-methylphenoxy)-2-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenoxy)-2-methylpropanamide is sourced from PubChem (CID 43311815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).