N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide

C11H13NO3 — CID 121216988

IUPACN-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)c(C=O)c1
InChIInChI=1S/C11H13NO3/c1-7(2)11(15)12-9-3-4-10(14)8(5-9)6-13/h3-7,14H,1-2H3,(H,12,15)
InChIKeySUURQLVUEOSRNB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.80
Rot. Bonds3

About N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide

N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide (PubChem CID 121216988) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
PubChem CID121216988
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)c(C=O)c1
InChIInChI=1S/C11H13NO3/c1-7(2)11(15)12-9-3-4-10(14)8(5-9)6-13/h3-7,14H,1-2H3,(H,12,15)
InChIKeySUURQLVUEOSRNB-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide (CID 121216988) is N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(O)c(C=O)c1.
What is the InChIKey of N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is SUURQLVUEOSRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)11(15)12-9-3-4-10(14)8(5-9)6-13/h3-7,14H,1-2H3,(H,12,15).
What are the key properties of N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide?
N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 207.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 121216988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).