2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C16H17NO4 — CID 114344196

IUPAC2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(O)c2O)c1
InChIInChI=1S/C16H17NO4/c1-11-4-2-5-12(10-11)21-9-8-17-16(20)13-6-3-7-14(18)15(13)19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyLWLUEHFOQPJEBP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.22
Rot. Bonds5

About 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 114344196) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID114344196
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cccc(O)c2O)c1
InChIInChI=1S/C16H17NO4/c1-11-4-2-5-12(10-11)21-9-8-17-16(20)13-6-3-7-14(18)15(13)19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyLWLUEHFOQPJEBP-UHFFFAOYSA-N
XLogP2.22
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 114344196) is 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2cccc(O)c2O)c1.
What is the InChIKey of 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is LWLUEHFOQPJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-4-2-5-12(10-11)21-9-8-17-16(20)13-6-3-7-14(18)15(13)19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of 2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.22, 5 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-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 114344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).