2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide

C12H18N2O2 — CID 43520249

IUPAC2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
SMILESCc1ccc(N)cc1OCC(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12(15)7-16-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyCVXKUXRFJYYFBZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds4

About 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide

2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide (PubChem CID 43520249) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
PubChem CID43520249
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
SMILESCc1ccc(N)cc1OCC(=O)NC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)14-12(15)7-16-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyCVXKUXRFJYYFBZ-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide 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-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
4-amino-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 106954921
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237
2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-diaminobenzoate
CID 61322545

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide (CID 43520249) is 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide is Cc1ccc(N)cc1OCC(=O)NC(C)C.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is CVXKUXRFJYYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)14-12(15)7-16-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide?
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 43520249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).