2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide

C13H20N2O3 — CID 114764380

IUPAC2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cccc(O)c1N
InChIInChI=1S/C13H20N2O3/c1-3-5-9(2)15-12(17)8-18-11-7-4-6-10(16)13(11)14/h4,6-7,9,16H,3,5,8,14H2,1-2H3,(H,15,17)
InChIKeyVLTMHMVJKGHLKP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide

2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide (PubChem CID 114764380) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
PubChem CID114764380
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cccc(O)c1N
InChIInChI=1S/C13H20N2O3/c1-3-5-9(2)15-12(17)8-18-11-7-4-6-10(16)13(11)14/h4,6-7,9,16H,3,5,8,14H2,1-2H3,(H,15,17)
InChIKeyVLTMHMVJKGHLKP-UHFFFAOYSA-N
XLogP1.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-3-hydroxyphenoxy)-N-pentan-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-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide (CID 114764380) is 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cccc(O)c1N.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide?
The InChIKey is VLTMHMVJKGHLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-5-9(2)15-12(17)8-18-11-7-4-6-10(16)13(11)14/h4,6-7,9,16H,3,5,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide?
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 114764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).