N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide

C28H34N2O2 — CID 121258485

IUPACN-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C(C)=O)CC2)cc1CC
InChIInChI=1S/C28H34N2O2/c1-7-19-9-10-22(15-20(19)8-2)28(13-14-28)26(32)29-23-11-12-24-21(16-23)17-25(27(4,5)6)30(24)18(3)31/h9-12,15-17H,7-8,13-14H2,1-6H3,(H,29,32)
InChIKeyNJAJLIJNUZYSMK-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.39
Rot. Bonds5

About N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide

N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide (PubChem CID 121258485) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide
PubChem CID121258485
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C(C)=O)CC2)cc1CC
InChIInChI=1S/C28H34N2O2/c1-7-19-9-10-22(15-20(19)8-2)28(13-14-28)26(32)29-23-11-12-24-21(16-23)17-25(27(4,5)6)30(24)18(3)31/h9-12,15-17H,7-8,13-14H2,1-6H3,(H,29,32)
InChIKeyNJAJLIJNUZYSMK-UHFFFAOYSA-N
XLogP6.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2-tert-butylindol-5-yl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59129212
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(3-ethoxy-4-propylphenyl)cyclopropane-1-carboxamide
CID 143988831
N-[1-[2-(aminomethyl)-2-methylbutyl]-2-tert-butylindol-5-yl]-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 163824147
N-[2-tert-butyl-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59129373
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-methoxyethyl)indol-5-yl]cyclopropane-1-carboxamide
CID 24763236
3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-oxopropanoic acid
CID 59129263
N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 59129490
N-[2-tert-butyl-1-[(5,5-dimethyloxolan-3-yl)methyl]indol-5-yl]-1-(2-ethyl-2-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 91168974
CID 89328997
CID 89328997
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159884082
N-[2-tert-butyl-1-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159895394
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-hydroxy-4-(methylamino)butyl]indol-5-yl]cyclopropane-1-carboxamide
CID 167278364

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide (CID 121258485) is N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide is CCc1ccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C(C)=O)CC2)cc1CC.
What is the InChIKey of N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NJAJLIJNUZYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-7-19-9-10-22(15-20(19)8-2)28(13-14-28)26(32)29-23-11-12-24-21(16-23)17-25(27(4,5)6)30(24)18(3)31/h9-12,15-17H,7-8,13-14H2,1-6H3,(H,29,32).
What are the key properties of N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide?
N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 121258485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).