2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide

C14H22N2O2 — CID 54957007

IUPAC2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cc(N)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)9-18-13-8-11(15)7-6-10(13)3/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyFXTBSEIPWVGMCO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.26
Rot. Bonds6

About 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide

2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 54957007) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
PubChem CID54957007
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cc(N)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)9-18-13-8-11(15)7-6-10(13)3/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyFXTBSEIPWVGMCO-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.26
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-pentan-3-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-propan-2-ylacetamide
CID 43520249
4-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 45311911
2-(5-carbamothioyl-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 107656503
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide (CID 54957007) is 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is FXTBSEIPWVGMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)9-18-13-8-11(15)7-6-10(13)3/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide?
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.26, 6 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-pentan-3-ylacetamide is sourced from PubChem (CID 54957007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).