4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide

C20H22N2O4 — CID 60538347

IUPAC4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-3-17(15-6-9-18-19(12-15)26-11-10-25-18)22-20(24)14-4-7-16(8-5-14)21-13(2)23/h4-9,12,17H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVYHSXWZPBQGQKM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.30
Rot. Bonds5

About 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide

4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide (PubChem CID 60538347) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
PubChem CID60538347
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-3-17(15-6-9-18-19(12-15)26-11-10-25-18)22-20(24)14-4-7-16(8-5-14)21-13(2)23/h4-9,12,17H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVYHSXWZPBQGQKM-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119182132
4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 129467448
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109044179
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 102554840
3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 39966484
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55953201
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide?
The IUPAC name of 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide (CID 60538347) is 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide?
The canonical SMILES for 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide is CCC(NC(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide?
The InChIKey is VYHSXWZPBQGQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-17(15-6-9-18-19(12-15)26-11-10-25-18)22-20(24)14-4-7-16(8-5-14)21-13(2)23/h4-9,12,17H,3,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide?
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide is sourced from PubChem (CID 60538347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).