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

C11H16N2O3 — CID 114764237

IUPAC2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(O)c1N
InChIInChI=1S/C11H16N2O3/c1-7(2)13-10(15)6-16-9-5-3-4-8(14)11(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)
InChIKeyDRFAYVQFFGHSMD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.88
Rot. Bonds4

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

2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide (PubChem CID 114764237) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
PubChem CID114764237
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(O)c1N
InChIInChI=1S/C11H16N2O3/c1-7(2)13-10(15)6-16-9-5-3-4-8(14)11(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)
InChIKeyDRFAYVQFFGHSMD-UHFFFAOYSA-N
XLogP0.88
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.88
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'}

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Related Compounds

2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 107341681
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 114764389
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide (CID 114764237) is 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cccc(O)c1N.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide?
The InChIKey is DRFAYVQFFGHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)13-10(15)6-16-9-5-3-4-8(14)11(9)12/h3-5,7,14H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide?
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide has a molecular weight of 224.26 g/mol, XLogP of 0.88, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 114764237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).