N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide

C24H28N2O2 — CID 122693347

IUPACN-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-5-28-20-9-6-18(7-10-20)24(13-14-24)22(27)25-19-8-11-21-17(16-19)12-15-26(21)23(2,3)4/h6-12,15-16H,5,13-14H2,1-4H3,(H,25,27)
InChIKeyGETUXZVLRBMYFB-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.47
Rot. Bonds5

About N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide

N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 122693347) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID122693347
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-5-28-20-9-6-18(7-10-20)24(13-14-24)22(27)25-19-8-11-21-17(16-19)12-15-26(21)23(2,3)4/h6-12,15-16H,5,13-14H2,1-4H3,(H,25,27)
InChIKeyGETUXZVLRBMYFB-UHFFFAOYSA-N
XLogP5.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenyl)-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206609
methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744039
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
CID 95100675
N-(1-acetyl-2-tert-butylindol-5-yl)-1-(3,4-diethylphenyl)cyclopropane-1-carboxamide
CID 121258485
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(3-ethoxy-4-propylphenyl)cyclopropane-1-carboxamide
CID 143988831

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide (CID 122693347) is N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide is CCOc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1.
What is the InChIKey of N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is GETUXZVLRBMYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-28-20-9-6-18(7-10-20)24(13-14-24)22(27)25-19-8-11-21-17(16-19)12-15-26(21)23(2,3)4/h6-12,15-16H,5,13-14H2,1-4H3,(H,25,27).
What are the key properties of N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 122693347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).