N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide

C11H16N2O3 — CID 107726322

IUPACN-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H16N2O3/c1-7(12)6-13(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6,12H2,1-2H3
InChIKeyADXYAVAEYLOGHL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.52
Rot. Bonds3

About N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide

N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107726322) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
PubChem CID107726322
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H16N2O3/c1-7(12)6-13(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6,12H2,1-2H3
InChIKeyADXYAVAEYLOGHL-UHFFFAOYSA-N
XLogP0.52
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide 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

2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
2-[(2,5-dihydroxybenzoyl)-methylamino]propanoic acid
CID 107721641
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide (CID 107726322) is N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide is CC(N)CN(C)C(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is ADXYAVAEYLOGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(12)6-13(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide?
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107726322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).