N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide

C17H17NO3 — CID 113091743

IUPACN-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-17(2,13-6-4-3-5-7-13)18-16(19)12-8-9-14-15(10-12)21-11-20-14/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySDSZJFMORQGNEJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds3

About N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide

N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 113091743) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID113091743
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-17(2,13-6-4-3-5-7-13)18-16(19)12-8-9-14-15(10-12)21-11-20-14/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySDSZJFMORQGNEJ-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
CID 56522895
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 11782753
N-(1-bromo-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114314347
N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46637989
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
3-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172397
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide (CID 113091743) is N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide is CC(C)(NC(=O)c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SDSZJFMORQGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2,13-6-4-3-5-7-13)18-16(19)12-8-9-14-15(10-12)21-11-20-14/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide?
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113091743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).