N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

C11H16N2O3 — CID 22161897

IUPACN-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCNCC(O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(14)13-9-5-8(3-4-10(9)15)11(16)6-12-2/h3-5,11-12,15-16H,6H2,1-2H3,(H,13,14)
InChIKeyPEZLFBJHIZHNQY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.60
Rot. Bonds4

About N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (PubChem CID 22161897) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
PubChem CID22161897
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCNCC(O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(14)13-9-5-8(3-4-10(9)15)11(16)6-12-2/h3-5,11-12,15-16H,6H2,1-2H3,(H,13,14)
InChIKeyPEZLFBJHIZHNQY-UHFFFAOYSA-N
XLogP0.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide 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-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;propanedioic acid
CID 146306053
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514063
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;sulfuric acid
CID 67900576
4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroxyurea
CID 174867789
boric acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 23618421
2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 20598480
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 67465587
2-aminoguanidine;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;methanesulfonic acid
CID 175014264

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (CID 22161897) is N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is CNCC(O)c1ccc(O)c(NC(C)=O)c1.
What is the InChIKey of N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The InChIKey is PEZLFBJHIZHNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(14)13-9-5-8(3-4-10(9)15)11(16)6-12-2/h3-5,11-12,15-16H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 22161897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).