3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide

C14H19NO3 — CID 55204374

IUPAC3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(17)6-7-18-13-5-4-11(3)8-12(13)9-16/h4-5,8-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyHFJRFBRLIDHBEJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds6

About 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide

3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 55204374) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
PubChem CID55204374
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(17)6-7-18-13-5-4-11(3)8-12(13)9-16/h4-5,8-10H,6-7H2,1-3H3,(H,15,17)
InChIKeyHFJRFBRLIDHBEJ-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-methyl-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzoic acid
CID 62623223
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
(2S,3R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964545
3-(2,4-dimethylphenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 43059642
2-(2-hydroxy-2,3-dimethylbutoxy)-5-methylbenzaldehyde
CID 114494012
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754

Frequently Asked Questions

What is the IUPAC name of 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide (CID 55204374) is 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide is Cc1ccc(OCCC(=O)NC(C)C)c(C=O)c1.
What is the InChIKey of 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is HFJRFBRLIDHBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)15-14(17)6-7-18-13-5-4-11(3)8-12(13)9-16/h4-5,8-10H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide?
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55204374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).