N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide

C11H16N2O2 — CID 117297770

IUPACN-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C(C)(C)N
InChIInChI=1S/C11H16N2O2/c1-7(14)13-10-8(11(2,3)12)5-4-6-9(10)15/h4-6,15H,12H2,1-3H3,(H,13,14)
InChIKeySHGZUDLDWJHHEJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds2

About N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide

N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide (PubChem CID 117297770) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide
PubChem CID117297770
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C(C)(C)N
InChIInChI=1S/C11H16N2O2/c1-7(14)13-10-8(11(2,3)12)5-4-6-9(10)15/h4-6,15H,12H2,1-3H3,(H,13,14)
InChIKeySHGZUDLDWJHHEJ-UHFFFAOYSA-N
XLogP1.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide (CID 117297770) is N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)cccc1C(C)(C)N.
What is the InChIKey of N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide?
The InChIKey is SHGZUDLDWJHHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(14)13-10-8(11(2,3)12)5-4-6-9(10)15/h4-6,15H,12H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide?
N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117297770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).