2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide

C18H19NO5 — CID 2975642

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H19NO5/c1-11-7-16(21-3)12(2)6-14(11)19-18(20)9-22-13-4-5-15-17(8-13)24-10-23-15/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyQZRBBGPVGSJGOZ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.06
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide (PubChem CID 2975642) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
PubChem CID2975642
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H19NO5/c1-11-7-16(21-3)12(2)6-14(11)19-18(20)9-22-13-4-5-15-17(8-13)24-10-23-15/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyQZRBBGPVGSJGOZ-UHFFFAOYSA-N
XLogP3.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide (CID 2975642) is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide is COc1cc(C)c(NC(=O)COc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide?
The InChIKey is QZRBBGPVGSJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-7-16(21-3)12(2)6-14(11)19-18(20)9-22-13-4-5-15-17(8-13)24-10-23-15/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide has a molecular weight of 329.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2975642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).