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

C18H19NO3 — CID 795668

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO3/c20-18(8-4-7-14-5-2-1-3-6-14)19-15-9-10-16-17(13-15)22-12-11-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,19,20)
InChIKeyFIYDVRRMDBALPQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.42
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide (PubChem CID 795668) 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)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide
PubChem CID795668
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO3/c20-18(8-4-7-14-5-2-1-3-6-14)19-15-9-10-16-17(13-15)22-12-11-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,19,20)
InChIKeyFIYDVRRMDBALPQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide (CID 795668) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide?
The InChIKey is FIYDVRRMDBALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(8-4-7-14-5-2-1-3-6-14)19-15-9-10-16-17(13-15)22-12-11-21-16/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutanamide has a molecular weight of 297.35 g/mol, XLogP of 3.42, 5 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)-4-phenylbutanamide is sourced from PubChem (CID 795668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).