2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

C18H19NO3 — CID 7763070

IUPAC2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccccc2C=O)c(C)c1
InChIInChI=1S/C18H19NO3/c1-12-8-13(2)18(14(3)9-12)19-17(21)11-22-16-7-5-4-6-15(16)10-20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYTUQBXPBMIHKDM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7763070) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7763070
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccccc2C=O)c(C)c1
InChIInChI=1S/C18H19NO3/c1-12-8-13(2)18(14(3)9-12)19-17(21)11-22-16-7-5-4-6-15(16)10-20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYTUQBXPBMIHKDM-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.44
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-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
CID 7762574
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-(4-methoxyphenyl)-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126278520
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
N-(3-chloro-4-methylphenyl)-N'-[[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 3928774
N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126176448
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide
CID 24520868

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 7763070) is 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccccc2C=O)c(C)c1.
What is the InChIKey of 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YTUQBXPBMIHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-8-13(2)18(14(3)9-12)19-17(21)11-22-16-7-5-4-6-15(16)10-20/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7763070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).