2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

C14H19NO3 — CID 112611070

IUPAC2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCc1cccc(C=O)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)15(4)13(17)9-18-14-11(3)6-5-7-12(14)8-16/h5-8,10H,9H2,1-4H3
InChIKeyPLJKGBYQIKVDRM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 112611070) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID112611070
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCc1cccc(C=O)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)15(4)13(17)9-18-14-11(3)6-5-7-12(14)8-16/h5-8,10H,9H2,1-4H3
InChIKeyPLJKGBYQIKVDRM-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
CID 112611155
N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-3-methylbenzoic acid
CID 60910926
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (CID 112611070) is 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide is Cc1cccc(C=O)c1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PLJKGBYQIKVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)15(4)13(17)9-18-14-11(3)6-5-7-12(14)8-16/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 112611070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).