3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide

C24H23NO3 — CID 56522758

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)25-23(26)15-13-18-12-14-21-22(16-18)28-17-27-21/h2-12,14,16H,13,15,17H2,1H3,(H,25,26)
InChIKeyIQOQDXBXDBKYKO-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.43
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide (PubChem CID 56522758) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
PubChem CID56522758
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)25-23(26)15-13-18-12-14-21-22(16-18)28-17-27-21/h2-12,14,16H,13,15,17H2,1H3,(H,25,26)
InChIKeyIQOQDXBXDBKYKO-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
CID 56522895
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
CID 11774905
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-phenylacetate
CID 95152788
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide (CID 56522758) is 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide is CC(NC(=O)CCc1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide?
The InChIKey is IQOQDXBXDBKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)25-23(26)15-13-18-12-14-21-22(16-18)28-17-27-21/h2-12,14,16H,13,15,17H2,1H3,(H,25,26).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 4.43, 6 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)-N-(1,1-diphenylethyl)propanamide is sourced from PubChem (CID 56522758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).