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

C17H19NO2 — CID 2222949

IUPAC4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-3-7-15(8-4-13)17(19)18-11-12-20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyPAOYMTQHXUFOLE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.11
Rot. Bonds5

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

4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 2222949) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID2222949
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-3-7-15(8-4-13)17(19)18-11-12-20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyPAOYMTQHXUFOLE-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 2222949) is 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is PAOYMTQHXUFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-3-7-15(8-4-13)17(19)18-11-12-20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2222949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).