N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide

C19H19NO6 — CID 14825595

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
SMILESCOc1cc2c(cc1CC(=O)NCCc1ccc3c(c1)OCO3)OCO2
InChIInChI=1S/C19H19NO6/c1-22-15-9-18-17(25-11-26-18)7-13(15)8-19(21)20-5-4-12-2-3-14-16(6-12)24-10-23-14/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,20,21)
InChIKeyLDJARSHFBZRFET-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide (PubChem CID 14825595) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
PubChem CID14825595
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
SMILESCOc1cc2c(cc1CC(=O)NCCc1ccc3c(c1)OCO3)OCO2
InChIInChI=1S/C19H19NO6/c1-22-15-9-18-17(25-11-26-18)7-13(15)8-19(21)20-5-4-12-2-3-14-16(6-12)24-10-23-14/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,20,21)
InChIKeyLDJARSHFBZRFET-UHFFFAOYSA-N
XLogP2.05
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide (CID 14825595) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide is COc1cc2c(cc1CC(=O)NCCc1ccc3c(c1)OCO3)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is LDJARSHFBZRFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-15-9-18-17(25-11-26-18)7-13(15)8-19(21)20-5-4-12-2-3-14-16(6-12)24-10-23-14/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 357.36 g/mol, XLogP of 2.05, 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-yl)ethyl]-2-(6-methoxy-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 14825595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).