1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide

C23H24N2O3 — CID 24763318

IUPAC1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2[nH]ccc12
InChIInChI=1S/C23H24N2O3/c1-22(2,3)20-15-8-11-24-16(15)5-6-17(20)25-21(26)23(9-10-23)14-4-7-18-19(12-14)28-13-27-18/h4-8,11-12,24H,9-10,13H2,1-3H3,(H,25,26)
InChIKeyPVXIWQMFOFBSTM-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.86
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide (PubChem CID 24763318) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide
PubChem CID24763318
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2[nH]ccc12
InChIInChI=1S/C23H24N2O3/c1-22(2,3)20-15-8-11-24-16(15)5-6-17(20)25-21(26)23(9-10-23)14-4-7-18-19(12-14)28-13-27-18/h4-8,11-12,24H,9-10,13H2,1-3H3,(H,25,26)
InChIKeyPVXIWQMFOFBSTM-UHFFFAOYSA-N
XLogP4.86
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160769889
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-3-nitroso-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129407
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158814505
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166214
1-(1,3-benzodioxol-5-yl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 113198918
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159372797
methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
CID 170269909
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-4-methyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide
CID 140563005
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]cyclopropane-1-carboxamide
CID 130193821

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide (CID 24763318) is 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)c1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2[nH]ccc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is PVXIWQMFOFBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-22(2,3)20-15-8-11-24-16(15)5-6-17(20)25-21(26)23(9-10-23)14-4-7-18-19(12-14)28-13-27-18/h4-8,11-12,24H,9-10,13H2,1-3H3,(H,25,26).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24763318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).