N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide

C13H13NO5 — CID 47406497

IUPACN-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide
SMILESO=Cc1cc2c(cc1OCC(=O)NC1CC1)OCO2
InChIInChI=1S/C13H13NO5/c15-5-8-3-11-12(19-7-18-11)4-10(8)17-6-13(16)14-9-1-2-9/h3-5,9H,1-2,6-7H2,(H,14,16)
InChIKeyQXMJQLJMQCQDMY-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.89
Rot. Bonds5

About N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide

N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide (PubChem CID 47406497) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide
PubChem CID47406497
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC NameN-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide
SMILESO=Cc1cc2c(cc1OCC(=O)NC1CC1)OCO2
InChIInChI=1S/C13H13NO5/c15-5-8-3-11-12(19-7-18-11)4-10(8)17-6-13(16)14-9-1-2-9/h3-5,9H,1-2,6-7H2,(H,14,16)
InChIKeyQXMJQLJMQCQDMY-UHFFFAOYSA-N
XLogP0.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetate
CID 55012112
2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]-N-prop-2-ynylacetamide
CID 47406501
2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]-N-pentan-3-ylacetamide
CID 47984184
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
methyl 4-[(6-formyl-1,3-benzodioxol-5-yl)oxy]butanoate
CID 55011774
6-(5-hydroxypentoxy)-1,3-benzodioxole-5-carbaldehyde
CID 62228686
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 8653765
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 55011970
6-buta-2,3-dienoxy-1,3-benzodioxole-5-carbaldehyde
CID 121001988
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide (CID 47406497) is N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide is O=Cc1cc2c(cc1OCC(=O)NC1CC1)OCO2.
What is the InChIKey of N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide?
The InChIKey is QXMJQLJMQCQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-5-8-3-11-12(19-7-18-11)4-10(8)17-6-13(16)14-9-1-2-9/h3-5,9H,1-2,6-7H2,(H,14,16).
What are the key properties of N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide?
N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide has a molecular weight of 263.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide is sourced from PubChem (CID 47406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).