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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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).