3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

C20H24N2O3 — CID 42896409

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-22(2)17(16-6-4-3-5-7-16)13-21-20(23)11-9-15-8-10-18-19(12-15)25-14-24-18/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,21,23)
InChIKeyHMYDJKLTDHYKNF-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (PubChem CID 42896409) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
PubChem CID42896409
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-22(2)17(16-6-4-3-5-7-16)13-21-20(23)11-9-15-8-10-18-19(12-15)25-14-24-18/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,21,23)
InChIKeyHMYDJKLTDHYKNF-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(2-methylphenyl)butanamide
CID 110427605
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-phenylacetate
CID 95152788
3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]prop-2-enamide
CID 7041597
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 55739563
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide (CID 42896409) is 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide is CN(C)C(CNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
The InChIKey is HMYDJKLTDHYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(2)17(16-6-4-3-5-7-16)13-21-20(23)11-9-15-8-10-18-19(12-15)25-14-24-18/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 2.77, 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-[2-(dimethylamino)-2-phenylethyl]propanamide is sourced from PubChem (CID 42896409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).