2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide

C11H13NO3 — CID 107723898

IUPAC2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H13NO3/c1-7(2)6-12-11(15)9-5-8(13)3-4-10(9)14/h3-5,13-14H,1,6H2,2H3,(H,12,15)
InChIKeyBAUIWWFGNBHSJK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.40
Rot. Bonds3

About 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide

2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide (PubChem CID 107723898) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
PubChem CID107723898
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H13NO3/c1-7(2)6-12-11(15)9-5-8(13)3-4-10(9)14/h3-5,13-14H,1,6H2,2H3,(H,12,15)
InChIKeyBAUIWWFGNBHSJK-UHFFFAOYSA-N
XLogP1.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide (CID 107723898) is 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is BAUIWWFGNBHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)6-12-11(15)9-5-8(13)3-4-10(9)14/h3-5,13-14H,1,6H2,2H3,(H,12,15).
What are the key properties of 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide?
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 207.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 107723898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).