N-(4-formyl-2,3-dimethoxyphenyl)acetamide

C11H13NO4 — CID 84788904

IUPACN-(4-formyl-2,3-dimethoxyphenyl)acetamide
SMILESCOc1c(C=O)ccc(NC(C)=O)c1OC
InChIInChI=1S/C11H13NO4/c1-7(14)12-9-5-4-8(6-13)10(15-2)11(9)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyOUDLAOOPPNBFSH-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.47
Rot. Bonds4

About N-(4-formyl-2,3-dimethoxyphenyl)acetamide

N-(4-formyl-2,3-dimethoxyphenyl)acetamide (PubChem CID 84788904) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(4-formyl-2,3-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-formyl-2,3-dimethoxyphenyl)acetamide
PubChem CID84788904
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(4-formyl-2,3-dimethoxyphenyl)acetamide
SMILESCOc1c(C=O)ccc(NC(C)=O)c1OC
InChIInChI=1S/C11H13NO4/c1-7(14)12-9-5-4-8(6-13)10(15-2)11(9)16-3/h4-6H,1-3H3,(H,12,14)
InChIKeyOUDLAOOPPNBFSH-UHFFFAOYSA-N
XLogP1.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.47
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-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide
CID 21105701
ethane;N-(2-formylphenyl)acetamide
CID 142055624
3-acetyl-2-methoxybenzaldehyde
CID 148697874
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
CID 84787877
2-amino-2-(4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117350252
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2,3-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-formyl-2,3-dimethoxyphenyl)acetamide (CID 84788904) is N-(4-formyl-2,3-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-formyl-2,3-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-formyl-2,3-dimethoxyphenyl)acetamide is COc1c(C=O)ccc(NC(C)=O)c1OC.
What is the InChIKey of N-(4-formyl-2,3-dimethoxyphenyl)acetamide?
The InChIKey is OUDLAOOPPNBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(14)12-9-5-4-8(6-13)10(15-2)11(9)16-3/h4-6H,1-3H3,(H,12,14).
What are the key properties of N-(4-formyl-2,3-dimethoxyphenyl)acetamide?
N-(4-formyl-2,3-dimethoxyphenyl)acetamide has a molecular weight of 223.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2,3-dimethoxyphenyl)acetamide is sourced from PubChem (CID 84788904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).