N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide

C22H19NO3 — CID 56522895

IUPACN-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-22(17-8-4-2-5-9-17,18-10-6-3-7-11-18)23-21(24)16-12-13-19-20(14-16)26-15-25-19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyWNTPVLNELHOBCM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.11
Rot. Bonds4

About N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide

N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 56522895) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID56522895
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-22(17-8-4-2-5-9-17,18-10-6-3-7-11-18)23-21(24)16-12-13-19-20(14-16)26-15-25-19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyWNTPVLNELHOBCM-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758
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
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
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide (CID 56522895) is N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WNTPVLNELHOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-22(17-8-4-2-5-9-17,18-10-6-3-7-11-18)23-21(24)16-12-13-19-20(14-16)26-15-25-19/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide?
N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56522895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).