2-(4-amino-2,5-dimethylphenoxy)propanamide

C11H16N2O2 — CID 63181130

IUPAC2-(4-amino-2,5-dimethylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)c(C)cc1N
InChIInChI=1S/C11H16N2O2/c1-6-5-10(7(2)4-9(6)12)15-8(3)11(13)14/h4-5,8H,12H2,1-3H3,(H2,13,14)
InChIKeyDFNWYMZWYCEOHG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.14
Rot. Bonds3

About 2-(4-amino-2,5-dimethylphenoxy)propanamide

2-(4-amino-2,5-dimethylphenoxy)propanamide (PubChem CID 63181130) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenoxy)propanamide
PubChem CID63181130
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-amino-2,5-dimethylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)c(C)cc1N
InChIInChI=1S/C11H16N2O2/c1-6-5-10(7(2)4-9(6)12)15-8(3)11(13)14/h4-5,8H,12H2,1-3H3,(H2,13,14)
InChIKeyDFNWYMZWYCEOHG-UHFFFAOYSA-N
XLogP1.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.14
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

2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
2-(4-amino-2,5-dimethylphenoxy)butanamide
CID 63181047
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
2,4-dimethyl-5-propan-2-yloxyaniline;methanol
CID 167518125
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
CID 80689283
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)propanamide?
The IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)propanamide (CID 63181130) is 2-(4-amino-2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenoxy)propanamide?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenoxy)propanamide is Cc1cc(OC(C)C(N)=O)c(C)cc1N.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenoxy)propanamide?
The InChIKey is DFNWYMZWYCEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-5-10(7(2)4-9(6)12)15-8(3)11(13)14/h4-5,8H,12H2,1-3H3,(H2,13,14).
What are the key properties of 2-(4-amino-2,5-dimethylphenoxy)propanamide?
2-(4-amino-2,5-dimethylphenoxy)propanamide has a molecular weight of 208.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 63181130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).