3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide

C20H23NO3 — CID 16574716

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO3/c1-3-15-6-5-7-16(4-2)20(15)21-19(22)11-9-14-8-10-17-18(12-14)24-13-23-17/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H,21,22)
InChIKeyPVNYOELYBHSFHE-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide (PubChem CID 16574716) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
PubChem CID16574716
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO3/c1-3-15-6-5-7-16(4-2)20(15)21-19(22)11-9-14-8-10-17-18(12-14)24-13-23-17/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H,21,22)
InChIKeyPVNYOELYBHSFHE-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 17421203
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115594806
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide (CID 16574716) is 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide?
The InChIKey is PVNYOELYBHSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-15-6-5-7-16(4-2)20(15)21-19(22)11-9-14-8-10-17-18(12-14)24-13-23-17/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.11, 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-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 16574716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).