N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide

C22H27NO3 — CID 113197932

IUPACN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H27NO3/c1-16(2)23(15-17-8-6-5-7-9-17)21(24)22(3,4)18-10-11-19-20(14-18)26-13-12-25-19/h5-11,14,16H,12-13,15H2,1-4H3
InChIKeyQTHPNWJLPXLOJF-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.17
Rot. Bonds5

About N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide

N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide (PubChem CID 113197932) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide
PubChem CID113197932
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H27NO3/c1-16(2)23(15-17-8-6-5-7-9-17)21(24)22(3,4)18-10-11-19-20(14-18)26-13-12-25-19/h5-11,14,16H,12-13,15H2,1-4H3
InChIKeyQTHPNWJLPXLOJF-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119358485
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113178449
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-phenylacetamide
CID 113090597
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide
CID 113197935
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide (CID 113197932) is N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide is CC(C)N(Cc1ccccc1)C(=O)C(C)(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is QTHPNWJLPXLOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)23(15-17-8-6-5-7-9-17)21(24)22(3,4)18-10-11-19-20(14-18)26-13-12-25-19/h5-11,14,16H,12-13,15H2,1-4H3.
What are the key properties of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide?
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 353.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 113197932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).