2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide

C17H17NO3 — CID 97179244

IUPAC2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(C)cccc2C=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-6-8-15(9-7-12)18-16(20)11-21-17-13(2)4-3-5-14(17)10-19/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKZEIBVMTYWMYRO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide

2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 97179244) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
PubChem CID97179244
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(C)cccc2C=O)cc1
InChIInChI=1S/C17H17NO3/c1-12-6-8-15(9-7-12)18-16(20)11-21-17-13(2)4-3-5-14(17)10-19/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyKZEIBVMTYWMYRO-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
CID 115955575
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 17201773
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide (CID 97179244) is 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2c(C)cccc2C=O)cc1.
What is the InChIKey of 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is KZEIBVMTYWMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-6-8-15(9-7-12)18-16(20)11-21-17-13(2)4-3-5-14(17)10-19/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide?
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 97179244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).