ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate

C23H24N2O3 — CID 121383533

IUPACethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate
SMILESCCOC(=O)c1ccc(C2(NC(=O)c3cccc4c3NCC43CC3)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-2-28-21(27)15-6-8-16(9-7-15)23(12-13-23)25-20(26)17-4-3-5-18-19(17)24-14-22(18)10-11-22/h3-9,24H,2,10-14H2,1H3,(H,25,26)
InChIKeyZGAUIOCZLGQWBA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds5

About ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate

ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate (PubChem CID 121383533) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate
PubChem CID121383533
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate
SMILESCCOC(=O)c1ccc(C2(NC(=O)c3cccc4c3NCC43CC3)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-2-28-21(27)15-6-8-16(9-7-15)23(12-13-23)25-20(26)17-4-3-5-18-19(17)24-14-22(18)10-11-22/h3-9,24H,2,10-14H2,1H3,(H,25,26)
InChIKeyZGAUIOCZLGQWBA-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate with MolForge

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Related Compounds

ethyl 4-[1-[[1-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopropane]-7-carbonyl]amino]cyclopropyl]benzoate
CID 121383712
methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate
CID 121383687
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride
CID 134691907
ethyl 4-[7-(4-ethoxycarbonylphenyl)-7-bicyclo[2.2.1]heptanyl]benzoate
CID 57413259
methyl 4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-oxane]-7-carbonyl]amino]cyclopropyl]benzoate
CID 121383721
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
CID 90367821
ethyl 4-[3-[(5-hydroxy-1-methyl-4H-pyrrolo[3,2-b]pyrrole-2-carbonyl)amino]oxolan-3-yl]benzoate
CID 145367431
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate?
The IUPAC name of ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate (CID 121383533) is ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate?
The canonical SMILES for ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate is CCOC(=O)c1ccc(C2(NC(=O)c3cccc4c3NCC43CC3)CC2)cc1.
What is the InChIKey of ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate?
The InChIKey is ZGAUIOCZLGQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-28-21(27)15-6-8-16(9-7-15)23(12-13-23)25-20(26)17-4-3-5-18-19(17)24-14-22(18)10-11-22/h3-9,24H,2,10-14H2,1H3,(H,25,26).
What are the key properties of ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate?
ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate has a molecular weight of 376.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(spiro[1,2-dihydroindole-3,1'-cyclopropane]-7-carbonylamino)cyclopropyl]benzoate is sourced from PubChem (CID 121383533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).