2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide

C16H17NO3 — CID 2289445

IUPAC2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17NO3/c1-12-6-8-13(9-7-12)20-11-10-17-16(19)14-4-2-3-5-15(14)18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeySZVNNPPFJGXQBJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds5

About 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide

2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 2289445) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID2289445
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17NO3/c1-12-6-8-13(9-7-12)20-11-10-17-16(19)14-4-2-3-5-15(14)18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeySZVNNPPFJGXQBJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 2289445) is 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is SZVNNPPFJGXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-6-8-13(9-7-12)20-11-10-17-16(19)14-4-2-3-5-15(14)18/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide?
2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2289445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).