2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide

C18H19NO3 — CID 52794866

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO3/c1-18(2,17(20)19-14-6-4-3-5-7-14)13-8-9-15-16(12-13)22-11-10-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyLRGGWKUEVZJQLW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.37
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide (PubChem CID 52794866) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
PubChem CID52794866
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO3/c1-18(2,17(20)19-14-6-4-3-5-7-14)13-8-9-15-16(12-13)22-11-10-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyLRGGWKUEVZJQLW-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113197977
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
CID 52795032
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 119515043
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 126781276
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;hydrochloride
CID 120566384
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide (CID 52794866) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide is CC(C)(C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide?
The InChIKey is LRGGWKUEVZJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,17(20)19-14-6-4-3-5-7-14)13-8-9-15-16(12-13)22-11-10-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide has a molecular weight of 297.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 52794866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).