N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide

C12H15NO4 — CID 84798477

IUPACN-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
SMILESCOc1cc(C=O)c(C)c(NC(C)=O)c1OC
InChIInChI=1S/C12H15NO4/c1-7-9(6-14)5-10(16-3)12(17-4)11(7)13-8(2)15/h5-6H,1-4H3,(H,13,15)
InChIKeyMDDDYMXCWQPHOU-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.78
Rot. Bonds4

About N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide

N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide (PubChem CID 84798477) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
PubChem CID84798477
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
SMILESCOc1cc(C=O)c(C)c(NC(C)=O)c1OC
InChIInChI=1S/C12H15NO4/c1-7-9(6-14)5-10(16-3)12(17-4)11(7)13-8(2)15/h5-6H,1-4H3,(H,13,15)
InChIKeyMDDDYMXCWQPHOU-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
CID 84798473
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
N-(2-formyl-6-methoxy-3-methylphenyl)acetamide
CID 84779440
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
CID 18445847
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
CID 84787877
methyl 3-(5-acetamido-4-formyl-2-methoxyanilino)propanoate
CID 21484835

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide?
The IUPAC name of N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide (CID 84798477) is N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide.
What is the SMILES notation for N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide?
The canonical SMILES for N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide is COc1cc(C=O)c(C)c(NC(C)=O)c1OC.
What is the InChIKey of N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide?
The InChIKey is MDDDYMXCWQPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-9(6-14)5-10(16-3)12(17-4)11(7)13-8(2)15/h5-6H,1-4H3,(H,13,15).
What are the key properties of N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide?
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide is sourced from PubChem (CID 84798477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).