3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide

C19H21NO4 — CID 110374361

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H21NO4/c1-13(14-3-8-17-18(12-14)24-10-9-23-17)11-19(21)20-15-4-6-16(22-2)7-5-15/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)
InChIKeyVNIHQBNYVQVXHS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.60
Rot. Bonds5

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 110374361) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID110374361
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H21NO4/c1-13(14-3-8-17-18(12-14)24-10-9-23-17)11-19(21)20-15-4-6-16(22-2)7-5-15/h3-8,12-13H,9-11H2,1-2H3,(H,20,21)
InChIKeyVNIHQBNYVQVXHS-UHFFFAOYSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoylamino]benzoate
CID 110374375
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110374384
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanediamide
CID 82122330
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619466
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119618654
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide (CID 110374361) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CC(C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is VNIHQBNYVQVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(14-3-8-17-18(12-14)24-10-9-23-17)11-19(21)20-15-4-6-16(22-2)7-5-15/h3-8,12-13H,9-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 327.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 110374361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).