2,3-dihydroxy-N-(2-methylpropoxy)benzamide

C11H15NO4 — CID 114344886

IUPAC2,3-dihydroxy-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO4/c1-7(2)6-16-12-11(15)8-4-3-5-9(13)10(8)14/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyFKRJRZDNJNSBIK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.42
Rot. Bonds4

About 2,3-dihydroxy-N-(2-methylpropoxy)benzamide

2,3-dihydroxy-N-(2-methylpropoxy)benzamide (PubChem CID 114344886) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-methylpropoxy)benzamide
PubChem CID114344886
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2,3-dihydroxy-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO4/c1-7(2)6-16-12-11(15)8-4-3-5-9(13)10(8)14/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyFKRJRZDNJNSBIK-UHFFFAOYSA-N
XLogP1.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
CID 115409669
2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
CID 114343359
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
2-chloro-N-(2-methylpropoxy)-3-nitrobenzamide
CID 114009629
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-methylpropoxy)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-methylpropoxy)benzamide (CID 114344886) is 2,3-dihydroxy-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-methylpropoxy)benzamide?
The InChIKey is FKRJRZDNJNSBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(2)6-16-12-11(15)8-4-3-5-9(13)10(8)14/h3-5,7,13-14H,6H2,1-2H3,(H,12,15).
What are the key properties of 2,3-dihydroxy-N-(2-methylpropoxy)benzamide?
2,3-dihydroxy-N-(2-methylpropoxy)benzamide has a molecular weight of 225.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 114344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).