N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

C17H25N3O4 — CID 71877532

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(C)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C17H25N3O4/c1-13-10-19(2)6-7-20(13)11-17(21)18-5-8-22-14-3-4-15-16(9-14)24-12-23-15/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,21)
InChIKeyYOQAWJUGWPIRRV-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.55
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide (PubChem CID 71877532) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
PubChem CID71877532
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCC1CN(C)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C17H25N3O4/c1-13-10-19(2)6-7-20(13)11-17(21)18-5-8-22-14-3-4-15-16(9-14)24-12-23-15/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,21)
InChIKeyYOQAWJUGWPIRRV-UHFFFAOYSA-N
XLogP0.55
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide (CID 71877532) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide is CC1CN(C)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The InChIKey is YOQAWJUGWPIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13-10-19(2)6-7-20(13)11-17(21)18-5-8-22-14-3-4-15-16(9-14)24-12-23-15/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71877532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).