methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate

C23H26N2O3 — CID 121383687

IUPACmethyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)c2cccc3c2NCC32CCCC2)cc1
InChIInChI=1S/C23H26N2O3/c1-15(16-8-10-17(11-9-16)22(27)28-2)25-21(26)18-6-5-7-19-20(18)24-14-23(19)12-3-4-13-23/h5-11,15,24H,3-4,12-14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyFUFCPNJIQBCSKT-HNNXBMFYSA-N
MW378.47 g/mol
LogP4.20
Rot. Bonds4

About methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate

methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate (PubChem CID 121383687) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate
PubChem CID121383687
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namemethyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)c2cccc3c2NCC32CCCC2)cc1
InChIInChI=1S/C23H26N2O3/c1-15(16-8-10-17(11-9-16)22(27)28-2)25-21(26)18-6-5-7-19-20(18)24-14-23(19)12-3-4-13-23/h5-11,15,24H,3-4,12-14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyFUFCPNJIQBCSKT-HNNXBMFYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 4-[(1S)-1-[(1-methyl-2,3-dihydroindole-7-carbonyl)amino]ethyl]benzoate
CID 70896834
methyl 4-[(1S)-1-[[1-[[4-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,4'-oxane]-7-carbonyl]amino]ethyl]benzoate
CID 121383722
methyl 4-[(1S)-1-[[(2R)-4,4-difluoropyrrolidine-2-carbonyl]amino]ethyl]benzoate
CID 71204714
methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178567
N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614392
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
methyl 4-[(1S)-1-[[1-(2-cyclohexyloxyethyl)indole-7-carbonyl]amino]ethyl]benzoate
CID 58306854
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
CID 123643461
methyl 4-[1-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]ethyl]benzoate
CID 174186419
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate?
The IUPAC name of methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate (CID 121383687) is methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate.
What is the SMILES notation for methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate?
The canonical SMILES for methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate is COC(=O)c1ccc([C@H](C)NC(=O)c2cccc3c2NCC32CCCC2)cc1.
What is the InChIKey of methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate?
The InChIKey is FUFCPNJIQBCSKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(16-8-10-17(11-9-16)22(27)28-2)25-21(26)18-6-5-7-19-20(18)24-14-23(19)12-3-4-13-23/h5-11,15,24H,3-4,12-14H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate?
methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate has a molecular weight of 378.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1S)-1-(spiro[1,2-dihydroindole-3,1'-cyclopentane]-7-carbonylamino)ethyl]benzoate is sourced from PubChem (CID 121383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).