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

C11H16N2O2 — CID 43437797

IUPAC3-(3-amino-2-methylphenoxy)-2-methylpropanamide
SMILESCc1c(N)cccc1OCC(C)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-7(11(13)14)6-15-10-5-3-4-9(12)8(10)2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeySRIQTOGWCNNATQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.08
Rot. Bonds4

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

3-(3-amino-2-methylphenoxy)-2-methylpropanamide (PubChem CID 43437797) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-2-methylphenoxy)-2-methylpropanamide
PubChem CID43437797
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(3-amino-2-methylphenoxy)-2-methylpropanamide
SMILESCc1c(N)cccc1OCC(C)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-7(11(13)14)6-15-10-5-3-4-9(12)8(10)2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeySRIQTOGWCNNATQ-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-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488
3-(3-amino-2-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622080
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326
2-methyl-3-propoxyaniline
CID 23134606
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
CID 55182024
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenoxy)-2-methylpropanamide?
The IUPAC name of 3-(3-amino-2-methylphenoxy)-2-methylpropanamide (CID 43437797) is 3-(3-amino-2-methylphenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(3-amino-2-methylphenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(3-amino-2-methylphenoxy)-2-methylpropanamide is Cc1c(N)cccc1OCC(C)C(N)=O.
What is the InChIKey of 3-(3-amino-2-methylphenoxy)-2-methylpropanamide?
The InChIKey is SRIQTOGWCNNATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(11(13)14)6-15-10-5-3-4-9(12)8(10)2/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-(3-amino-2-methylphenoxy)-2-methylpropanamide?
3-(3-amino-2-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-(3-amino-2-methylphenoxy)-2-methylpropanamide is sourced from PubChem (CID 43437797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).