N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide

C17H17NO3 — CID 673798

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c19-17(9-7-13-4-2-1-3-5-13)18-11-14-6-8-15-16(10-14)21-12-20-15/h1-6,8,10H,7,9,11-12H2,(H,18,19)
InChIKeyWPUNIJATAWVJEN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide (PubChem CID 673798) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
PubChem CID673798
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c19-17(9-7-13-4-2-1-3-5-13)18-11-14-6-8-15-16(10-14)21-12-20-15/h1-6,8,10H,7,9,11-12H2,(H,18,19)
InChIKeyWPUNIJATAWVJEN-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide (CID 673798) is N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide?
The InChIKey is WPUNIJATAWVJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(9-7-13-4-2-1-3-5-13)18-11-14-6-8-15-16(10-14)21-12-20-15/h1-6,8,10H,7,9,11-12H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 673798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).