N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide

C11H11NO5 — CID 84798418

IUPACN-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
SMILESCOc1c(C=O)cc2c(c1NC(C)=O)OCO2
InChIInChI=1S/C11H11NO5/c1-6(14)12-9-10(15-2)7(4-13)3-8-11(9)17-5-16-8/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyKBLMIILYWJKFBD-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.19
Rot. Bonds3

About N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide

N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide (PubChem CID 84798418) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
PubChem CID84798418
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC NameN-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
SMILESCOc1c(C=O)cc2c(c1NC(C)=O)OCO2
InChIInChI=1S/C11H11NO5/c1-6(14)12-9-10(15-2)7(4-13)3-8-11(9)17-5-16-8/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyKBLMIILYWJKFBD-UHFFFAOYSA-N
XLogP1.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-formyl-1,3-benzodioxol-5-yl)acetamide
CID 84779325
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
CID 84798477
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)ethanone
CID 84713456
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)propan-2-one
CID 117462772
N-[7-methoxy-6-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-benzodioxol-5-yl]acetamide
CID 15986589
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
CID 59429949

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide?
The IUPAC name of N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide (CID 84798418) is N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide.
What is the SMILES notation for N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide?
The canonical SMILES for N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide is COc1c(C=O)cc2c(c1NC(C)=O)OCO2.
What is the InChIKey of N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide?
The InChIKey is KBLMIILYWJKFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6(14)12-9-10(15-2)7(4-13)3-8-11(9)17-5-16-8/h3-4H,5H2,1-2H3,(H,12,14).
What are the key properties of N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide?
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide has a molecular weight of 237.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide is sourced from PubChem (CID 84798418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).