N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide

C19H21NO3 — CID 91792172

IUPACN-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CCC2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO3/c1-14(21)20-12-16-6-4-5-15(11-16)9-10-17-13-22-18-7-2-3-8-19(18)23-17/h2-8,11,17H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyLDTQHEXPKNPUFT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.10
Rot. Bonds5

About N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide

N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide (PubChem CID 91792172) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide
PubChem CID91792172
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CCC2COc3ccccc3O2)c1
InChIInChI=1S/C19H21NO3/c1-14(21)20-12-16-6-4-5-15(11-16)9-10-17-13-22-18-7-2-3-8-19(18)23-17/h2-8,11,17H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyLDTQHEXPKNPUFT-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N,N-dimethylbenzamide
CID 124758347
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methylphenyl)propanamide
CID 51276920
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]benzenesulfonic acid
CID 88633200
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylethanamine;oxalic acid
CID 2850688
N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
CID 27378887
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-(3-fluorophenyl)ethyl]urea
CID 55473384
N-[[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793291
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 47006141
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95863158

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide (CID 91792172) is N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(CCC2COc3ccccc3O2)c1.
What is the InChIKey of N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide?
The InChIKey is LDTQHEXPKNPUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(21)20-12-16-6-4-5-15(11-16)9-10-17-13-22-18-7-2-3-8-19(18)23-17/h2-8,11,17H,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide?
N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]phenyl]methyl]acetamide is sourced from PubChem (CID 91792172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).