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

C20H23NO3 — CID 2893734

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(C)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-20(22)21-15(2)17-8-9-18-19(13-17)24-11-10-23-18/h3-9,13-15H,10-12H2,1-2H3,(H,21,22)
InChIKeyRJGAAWRYRIRHOU-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.83
Rot. Bonds5

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide (PubChem CID 2893734) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide
PubChem CID2893734
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(C)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-20(22)21-15(2)17-8-9-18-19(13-17)24-11-10-23-18/h3-9,13-15H,10-12H2,1-2H3,(H,21,22)
InChIKeyRJGAAWRYRIRHOU-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide (CID 2893734) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide is CC(CC(=O)NC(C)c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide?
The InChIKey is RJGAAWRYRIRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(16-6-4-3-5-7-16)12-20(22)21-15(2)17-8-9-18-19(13-17)24-11-10-23-18/h3-9,13-15H,10-12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 2893734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).