N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide

C28H38N2O — CID 143559184

IUPACN-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide
SMILESCCCc1ccc(C2(C(=O)Nc3ccc4c(c3)CC(C(C)(C)C)N4CCC)CC2)cc1
InChIInChI=1S/C28H38N2O/c1-6-8-20-9-11-22(12-10-20)28(15-16-28)26(31)29-23-13-14-24-21(18-23)19-25(27(3,4)5)30(24)17-7-2/h9-14,18,25H,6-8,15-17,19H2,1-5H3,(H,29,31)
InChIKeyBQWJNKGURUMYCR-UHFFFAOYSA-N
MW418.63 g/mol
LogP6.50
Rot. Bonds7

About N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide

N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide (PubChem CID 143559184) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide
PubChem CID143559184
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC NameN-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide
SMILESCCCc1ccc(C2(C(=O)Nc3ccc4c(c3)CC(C(C)(C)C)N4CCC)CC2)cc1
InChIInChI=1S/C28H38N2O/c1-6-8-20-9-11-22(12-10-20)28(15-16-28)26(31)29-23-13-14-24-21(18-23)19-25(27(3,4)5)30(24)17-7-2/h9-14,18,25H,6-8,15-17,19H2,1-5H3,(H,29,31)
InChIKeyBQWJNKGURUMYCR-UHFFFAOYSA-N
XLogP6.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-tert-butyl-1-(2-cyanoethyl)-2,3-dihydroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]propanoic acid;methane
CID 159904231
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
1-(4-tert-butylphenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]cyclopropane-1-carboxamide
CID 86941652
N-(1-tert-butylindol-5-yl)-1-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 122693347
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 39215283
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 121258460
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
CID 89329046
1-(4-tert-butylphenyl)-N-[2-chloro-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 55799431
bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide);bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide);4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-2,3-dihydroindol-1-yl]butanoic acid;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;methoxymethane;4-oxobutanoic acid
CID 158517896
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
CID 56979424

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide (CID 143559184) is N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide is CCCc1ccc(C2(C(=O)Nc3ccc4c(c3)CC(C(C)(C)C)N4CCC)CC2)cc1.
What is the InChIKey of N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide?
The InChIKey is BQWJNKGURUMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O/c1-6-8-20-9-11-22(12-10-20)28(15-16-28)26(31)29-23-13-14-24-21(18-23)19-25(27(3,4)5)30(24)17-7-2/h9-14,18,25H,6-8,15-17,19H2,1-5H3,(H,29,31).
What are the key properties of N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide?
N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide has a molecular weight of 418.63 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143559184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).