(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]

C23H29N — CID 134957839

IUPAC(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC(C)(C)c1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C23H29N/c1-22(2,3)18-13-11-17(12-14-18)21-23(15-7-4-8-16-23)19-9-5-6-10-20(19)24-21/h5-6,9-14,21,24H,4,7-8,15-16H2,1-3H3/t21-/m0/s1
InChIKeyMKGRAVAVPXWTJD-NRFANRHFSA-N
MW319.49 g/mol
LogP6.35
Rot. Bonds1

About (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]

(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 134957839) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID134957839
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC(C)(C)c1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C23H29N/c1-22(2,3)18-13-11-17(12-14-18)21-23(15-7-4-8-16-23)19-9-5-6-10-20(19)24-21/h5-6,9-14,21,24H,4,7-8,15-16H2,1-3H3/t21-/m0/s1
InChIKeyMKGRAVAVPXWTJD-NRFANRHFSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 134957839) is (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] is CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is MKGRAVAVPXWTJD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N/c1-22(2,3)18-13-11-17(12-14-18)21-23(15-7-4-8-16-23)19-9-5-6-10-20(19)24-21/h5-6,9-14,21,24H,4,7-8,15-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
(2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 319.49 g/mol, XLogP of 6.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 134957839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).