2-(5-amino-2-methylphenoxy)-N-butylacetamide

C13H20N2O2 — CID 54956173

IUPAC2-(5-amino-2-methylphenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-3-4-7-15-13(16)9-17-12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H,15,16)
InChIKeyBOVVCBPLFCTOPJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds6

About 2-(5-amino-2-methylphenoxy)-N-butylacetamide

2-(5-amino-2-methylphenoxy)-N-butylacetamide (PubChem CID 54956173) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-butylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-butylacetamide
PubChem CID54956173
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5-amino-2-methylphenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-3-4-7-15-13(16)9-17-12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H,15,16)
InChIKeyBOVVCBPLFCTOPJ-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-methylphenoxy)-N-butylacetamide 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

4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
CID 106955557
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-butylacetamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-butylacetamide (CID 54956173) is 2-(5-amino-2-methylphenoxy)-N-butylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-butylacetamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-butylacetamide is CCCCNC(=O)COc1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-butylacetamide?
The InChIKey is BOVVCBPLFCTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-7-15-13(16)9-17-12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-butylacetamide?
2-(5-amino-2-methylphenoxy)-N-butylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.87, 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-butylacetamide is sourced from PubChem (CID 54956173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).