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

C17H17NO3 — CID 873732

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-17(9-6-13-4-2-1-3-5-13)18-14-7-8-15-16(12-14)21-11-10-20-15/h1-5,7-8,12H,6,9-11H2,(H,18,19)
InChIKeyZPAJBAXPAOVCIQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.03
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide (PubChem CID 873732) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide
PubChem CID873732
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-17(9-6-13-4-2-1-3-5-13)18-14-7-8-15-16(12-14)21-11-10-20-15/h1-5,7-8,12H,6,9-11H2,(H,18,19)
InChIKeyZPAJBAXPAOVCIQ-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.03
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)-3-phenylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide (CID 873732) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide?
The InChIKey is ZPAJBAXPAOVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(9-6-13-4-2-1-3-5-13)18-14-7-8-15-16(12-14)21-11-10-20-15/h1-5,7-8,12H,6,9-11H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 3.03, 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-phenylpropanamide is sourced from PubChem (CID 873732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).