3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide

C20H23NO4 — CID 132652164

IUPAC3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccccc1OCC(C)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO4/c1-14-5-3-4-6-17(14)23-12-15(2)21-20(22)10-8-16-7-9-18-19(11-16)25-13-24-18/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,21,22)
InChIKeyMGWILUWFDRNTFO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.24
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide (PubChem CID 132652164) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
PubChem CID132652164
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccccc1OCC(C)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO4/c1-14-5-3-4-6-17(14)23-12-15(2)21-20(22)10-8-16-7-9-18-19(11-16)25-13-24-18/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,21,22)
InChIKeyMGWILUWFDRNTFO-UHFFFAOYSA-N
XLogP3.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132674380
1-(1,3-benzodioxol-5-yl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706242
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-phenylacetate
CID 95152788
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841816

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide (CID 132652164) is 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide is Cc1ccccc1OCC(C)NC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is MGWILUWFDRNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-5-3-4-6-17(14)23-12-15(2)21-20(22)10-8-16-7-9-18-19(11-16)25-13-24-18/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 132652164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).