N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

C17H17NO3 — CID 669575

IUPACN-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c1-11(2)13-5-3-4-6-14(13)18-17(19)12-7-8-15-16(9-12)21-10-20-15/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeySOOPHUACOWVXJN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.79
Rot. Bonds3

About N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide

N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 669575) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID669575
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c1-11(2)13-5-3-4-6-14(13)18-17(19)12-7-8-15-16(9-12)21-10-20-15/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeySOOPHUACOWVXJN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
CID 17375783
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
N-[(1S)-1-(2-bromophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9220088
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide
CID 46636704
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580291
2-[[2-[2-(1,3-benzodioxole-5-carbonylamino)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 23827284
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide (CID 669575) is N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is SOOPHUACOWVXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(2)13-5-3-4-6-14(13)18-17(19)12-7-8-15-16(9-12)21-10-20-15/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 669575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).