2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide

C14H19NO3 — CID 112611177

IUPAC2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1cccc(C=O)c1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)15-14(17)11(4)18-13-10(3)6-5-7-12(13)8-16/h5-9,11H,1-4H3,(H,15,17)
InChIKeyZBKASGJGGQEYTD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide

2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 112611177) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
PubChem CID112611177
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1cccc(C=O)c1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)15-14(17)11(4)18-13-10(3)6-5-7-12(13)8-16/h5-9,11H,1-4H3,(H,15,17)
InChIKeyZBKASGJGGQEYTD-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
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-(3-methoxypropyl)propanamide
CID 115955495
2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
3,5-dimethyl-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 43117984
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069
2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
CID 112610920
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide (CID 112611177) is 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide is Cc1cccc(C=O)c1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is ZBKASGJGGQEYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)15-14(17)11(4)18-13-10(3)6-5-7-12(13)8-16/h5-9,11H,1-4H3,(H,15,17).
What are the key properties of 2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide?
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 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-propan-2-ylpropanamide is sourced from PubChem (CID 112611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).