N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide

C18H19NO4 — CID 744687

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C18H19NO4/c1-12-3-5-15(13(2)9-12)23-11-18(20)19-14-4-6-16-17(10-14)22-8-7-21-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyQRSPJLSPVISTOR-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.09
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 744687) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID744687
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C18H19NO4/c1-12-3-5-15(13(2)9-12)23-11-18(20)19-14-4-6-16-17(10-14)22-8-7-21-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyQRSPJLSPVISTOR-UHFFFAOYSA-N
XLogP3.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide (CID 744687) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is QRSPJLSPVISTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-3-5-15(13(2)9-12)23-11-18(20)19-14-4-6-16-17(10-14)22-8-7-21-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 744687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).