3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide

C11H16N2O3 — CID 107728277

IUPAC3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(12-2)6-13-11(16)8-3-4-9(14)10(15)5-8/h3-5,7,12,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyIREHAMQEAYDPDV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.44
Rot. Bonds4

About 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide

3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide (PubChem CID 107728277) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
PubChem CID107728277
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(12-2)6-13-11(16)8-3-4-9(14)10(15)5-8/h3-5,7,12,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyIREHAMQEAYDPDV-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107727577
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537
3-methyl-N-[2-(methylamino)propyl]-4-nitrobenzamide
CID 120832355

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide (CID 107728277) is 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide?
The InChIKey is IREHAMQEAYDPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(12-2)6-13-11(16)8-3-4-9(14)10(15)5-8/h3-5,7,12,14-15H,6H2,1-2H3,(H,13,16).
What are the key properties of 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide?
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 107728277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).