N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide

C25H28N2O2 — CID 89329046

IUPACN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
SMILESC=C1COc2cc(C3(C(=O)Nc4ccc5c(c4)CC(C(C)(C)C)N5)CC3)ccc21
InChIInChI=1S/C25H28N2O2/c1-15-14-29-21-13-17(5-7-19(15)21)25(9-10-25)23(28)26-18-6-8-20-16(11-18)12-22(27-20)24(2,3)4/h5-8,11,13,22,27H,1,9-10,12,14H2,2-4H3,(H,26,28)
InChIKeyBKNIYKMVVUXIHF-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.15
Rot. Bonds3

About N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide

N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide (PubChem CID 89329046) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
PubChem CID89329046
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
SMILESC=C1COc2cc(C3(C(=O)Nc4ccc5c(c4)CC(C(C)(C)C)N5)CC3)ccc21
InChIInChI=1S/C25H28N2O2/c1-15-14-29-21-13-17(5-7-19(15)21)25(9-10-25)23(28)26-18-6-8-20-16(11-18)12-22(27-20)24(2,3)4/h5-8,11,13,22,27H,1,9-10,12,14H2,2-4H3,(H,26,28)
InChIKeyBKNIYKMVVUXIHF-UHFFFAOYSA-N
XLogP5.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(3-methylidene-1-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 89071315
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
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 71164078
N-[2-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 159502021
tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
CID 121258457
N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 71164175
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;bis(N-[1-(2-azidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide);bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide);bis(2-chloroacetaldehyde);methane;methoxymethane
CID 159999911
1-(1,3-benzodioxol-5-yl)-N-(7-methylidene-1,2,3,4,5,6-hexahydro-1-benzazonin-9-yl)cyclopropane-1-carboxamide
CID 118328236
N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
CID 134547531
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 39215283
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-(2-tert-butyl-1-propyl-2,3-dihydroindol-5-yl)-1-(4-propylphenyl)cyclopropane-1-carboxamide
CID 143559184

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide (CID 89329046) is N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide is C=C1COc2cc(C3(C(=O)Nc4ccc5c(c4)CC(C(C)(C)C)N5)CC3)ccc21.
What is the InChIKey of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide?
The InChIKey is BKNIYKMVVUXIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-15-14-29-21-13-17(5-7-19(15)21)25(9-10-25)23(28)26-18-6-8-20-16(11-18)12-22(27-20)24(2,3)4/h5-8,11,13,22,27H,1,9-10,12,14H2,2-4H3,(H,26,28).
What are the key properties of N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide?
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 89329046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).