2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide

C18H20N2O4 — CID 47064346

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cccc2c1OCCO2
InChIInChI=1S/C18H20N2O4/c1-12-6-7-15(22-2)14(10-12)20-17(21)11-19-13-4-3-5-16-18(13)24-9-8-23-16/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyXZSCYRSQNKKZTG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.83
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 47064346) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID47064346
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cccc2c1OCCO2
InChIInChI=1S/C18H20N2O4/c1-12-6-7-15(22-2)14(10-12)20-17(21)11-19-13-4-3-5-16-18(13)24-9-8-23-16/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyXZSCYRSQNKKZTG-UHFFFAOYSA-N
XLogP2.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 46797713
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077609
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754936
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110753832
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 47064346) is 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1cccc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is XZSCYRSQNKKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-6-7-15(22-2)14(10-12)20-17(21)11-19-13-4-3-5-16-18(13)24-9-8-23-16/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 47064346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).