tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate

C23H27NO2 — CID 22719622

IUPACtert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCc1ccc(/C=C/c2cccc3c2CC(NC(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C23H27NO2/c1-16-8-10-17(11-9-16)12-13-18-6-5-7-19-14-20(15-21(18)19)24-22(25)26-23(2,3)4/h5-13,20H,14-15H2,1-4H3,(H,24,25)/b13-12+
InChIKeyJQCPAVJPDFRZAT-OUKQBFOZSA-N
MW349.47 g/mol
LogP5.16
Rot. Bonds3

About tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate

tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 22719622) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID22719622
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCc1ccc(/C=C/c2cccc3c2CC(NC(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C23H27NO2/c1-16-8-10-17(11-9-16)12-13-18-6-5-7-19-14-20(15-21(18)19)24-22(25)26-23(2,3)4/h5-13,20H,14-15H2,1-4H3,(H,24,25)/b13-12+
InChIKeyJQCPAVJPDFRZAT-OUKQBFOZSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate (CID 22719622) is tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate is Cc1ccc(/C=C/c2cccc3c2CC(NC(=O)OC(C)(C)C)C3)cc1.
What is the InChIKey of tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is JQCPAVJPDFRZAT-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H27NO2/c1-16-8-10-17(11-9-16)12-13-18-6-5-7-19-14-20(15-21(18)19)24-22(25)26-23(2,3)4/h5-13,20H,14-15H2,1-4H3,(H,24,25)/b13-12+.
What are the key properties of tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate?
tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 349.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 22719622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).