N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide

C12H15NO4 — CID 129295926

IUPACN-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide
SMILESCC(=O)NCOC1=CC2=C(C=CC1)OCCO2
InChIInChI=1S/C12H15NO4/c1-9(14)13-8-17-10-3-2-4-11-12(7-10)16-6-5-15-11/h2,4,7H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyDPYPZXDQTKDLFF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.20
Rot. Bonds3

About N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide

N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide (PubChem CID 129295926) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide.

Molecular Properties

Compound NameN-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide
PubChem CID129295926
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide
SMILESCC(=O)NCOC1=CC2=C(C=CC1)OCCO2
InChIInChI=1S/C12H15NO4/c1-9(14)13-8-17-10-3-2-4-11-12(7-10)16-6-5-15-11/h2,4,7H,3,5-6,8H2,1H3,(H,13,14)
InChIKeyDPYPZXDQTKDLFF-UHFFFAOYSA-N
XLogP1.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide?
The IUPAC name of N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide (CID 129295926) is N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide.
What is the SMILES notation for N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide?
The canonical SMILES for N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide is CC(=O)NCOC1=CC2=C(C=CC1)OCCO2.
What is the InChIKey of N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide?
The InChIKey is DPYPZXDQTKDLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(14)13-8-17-10-3-2-4-11-12(7-10)16-6-5-15-11/h2,4,7H,3,5-6,8H2,1H3,(H,13,14).
What are the key properties of N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide?
N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yloxymethyl)acetamide is sourced from PubChem (CID 129295926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).