N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide

C12H15NO4 — CID 84798473

IUPACN-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
SMILESCOc1c(C)c(NC(C)=O)c(C)c(C=O)c1O
InChIInChI=1S/C12H15NO4/c1-6-9(5-14)11(16)12(17-4)7(2)10(6)13-8(3)15/h5,16H,1-4H3,(H,13,15)
InChIKeyXMWUCMFFLMBGPI-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.79
Rot. Bonds3

About N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide

N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide (PubChem CID 84798473) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
PubChem CID84798473
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
SMILESCOc1c(C)c(NC(C)=O)c(C)c(C=O)c1O
InChIInChI=1S/C12H15NO4/c1-6-9(5-14)11(16)12(17-4)7(2)10(6)13-8(3)15/h5,16H,1-4H3,(H,13,15)
InChIKeyXMWUCMFFLMBGPI-UHFFFAOYSA-N
XLogP1.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
CID 84787877
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
CID 84798477
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
N-(3-acetamido-5-formyl-2,4,6-triiodophenyl)acetamide
CID 57243531
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2-fluoro-4,5-dihydroxy-3-methoxy-6-methylbenzaldehyde
CID 170993665
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
N-(2,4-dibromo-6-fluoro-3-methoxyphenyl)acetamide
CID 86654326
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide?
The IUPAC name of N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide (CID 84798473) is N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide is COc1c(C)c(NC(C)=O)c(C)c(C=O)c1O.
What is the InChIKey of N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide?
The InChIKey is XMWUCMFFLMBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-6-9(5-14)11(16)12(17-4)7(2)10(6)13-8(3)15/h5,16H,1-4H3,(H,13,15).
What are the key properties of N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide?
N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 84798473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).