3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide

C16H15NO3 — CID 3149163

IUPAC3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
SMILESNC(=O)CC(c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c17-16(18)9-13(11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,9-10H2,(H2,17,18)
InChIKeyBDPHLBMCCJDSTN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.42
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide

3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide (PubChem CID 3149163) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
PubChem CID3149163
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
SMILESNC(=O)CC(c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c17-16(18)9-13(11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,9-10H2,(H2,17,18)
InChIKeyBDPHLBMCCJDSTN-UHFFFAOYSA-N
XLogP2.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide (CID 3149163) is 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide is NC(=O)CC(c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The InChIKey is BDPHLBMCCJDSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c17-16(18)9-13(11-4-2-1-3-5-11)12-6-7-14-15(8-12)20-10-19-14/h1-8,13H,9-10H2,(H2,17,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide has a molecular weight of 269.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 3149163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).