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

C18H19NO3 — CID 2948413

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-13(14-5-3-2-4-6-14)11-18(20)19-15-7-8-16-17(12-15)22-10-9-21-16/h2-8,12-13H,9-11H2,1H3,(H,19,20)
InChIKeySXTRFJRVKOWQPO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.59
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide (PubChem CID 2948413) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
PubChem CID2948413
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-13(14-5-3-2-4-6-14)11-18(20)19-15-7-8-16-17(12-15)22-10-9-21-16/h2-8,12-13H,9-11H2,1H3,(H,19,20)
InChIKeySXTRFJRVKOWQPO-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619466
N-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110374384
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanediamide
CID 82122330
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)butanamide
CID 110374361
methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoylamino]benzoate
CID 110374375
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide (CID 2948413) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide is CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide?
The InChIKey is SXTRFJRVKOWQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(14-5-3-2-4-6-14)11-18(20)19-15-7-8-16-17(12-15)22-10-9-21-16/h2-8,12-13H,9-11H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide has a molecular weight of 297.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide is sourced from PubChem (CID 2948413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).