N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C24H23NO3 — CID 46637989

IUPACN-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)17-25-23(26)18-12-13-21-22(16-18)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26)
InChIKeyJNUAALURISORCH-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.19
Rot. Bonds5

About N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 46637989) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID46637989
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC NameN-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)17-25-23(26)18-12-13-21-22(16-18)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26)
InChIKeyJNUAALURISORCH-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 65110138
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
4-tert-butyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 113090593
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34713416
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
3-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172397
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743
N-[2-[1,3-benzodioxole-5-carbonyl(methyl)amino]-2-methylpropyl]-1,3-benzodioxole-5-carboxamide
CID 166180875
N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
CID 56522895

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 46637989) is N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(CNC(=O)c1ccc2c(c1)OCCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is JNUAALURISORCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)17-25-23(26)18-12-13-21-22(16-18)28-15-14-27-21/h2-13,16H,14-15,17H2,1H3,(H,25,26).
What are the key properties of N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 46637989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).