N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide

C24H26N2O2 — CID 24762820

IUPACN-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)COC5)CC3)ccc2[nH]1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)21-12-16-11-19(6-7-20(16)26-21)25-22(27)24(8-9-24)18-5-4-15-13-28-14-17(15)10-18/h4-7,10-12,26H,8-9,13-14H2,1-3H3,(H,25,27)
InChIKeyNVEAUNYXKOELLG-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.17
Rot. Bonds3

About N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide

N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide (PubChem CID 24762820) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
PubChem CID24762820
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)COC5)CC3)ccc2[nH]1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)21-12-16-11-19(6-7-20(16)26-21)25-22(27)24(8-9-24)18-5-4-15-13-28-14-17(15)10-18/h4-7,10-12,26H,8-9,13-14H2,1-3H3,(H,25,27)
InChIKeyNVEAUNYXKOELLG-UHFFFAOYSA-N
XLogP5.17
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
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CID 143559101
tert-butyl N-[2-[5-[[1-(4H-1,3-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 90730481
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
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N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
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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-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
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N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
CID 71164182
N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide (CID 24762820) is N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)COC5)CC3)ccc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide?
The InChIKey is NVEAUNYXKOELLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2,3)21-12-16-11-19(6-7-20(16)26-21)25-22(27)24(8-9-24)18-5-4-15-13-28-14-17(15)10-18/h4-7,10-12,26H,8-9,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide?
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24762820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).