tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate

C20H23NO2 — CID 154704341

IUPACtert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
SMILESCc1ccc(/C=C/c2ccccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)13-14-17-7-5-6-8-18(17)21-19(22)23-20(2,3)4/h5-14H,1-4H3,(H,21,22)/b14-13+
InChIKeyHUSWPICOSQEEHZ-BUHFOSPRSA-N
MW309.41 g/mol
LogP5.51
Rot. Bonds3

About tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate

tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate (PubChem CID 154704341) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
PubChem CID154704341
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
SMILESCc1ccc(/C=C/c2ccccc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)13-14-17-7-5-6-8-18(17)21-19(22)23-20(2,3)4/h5-14H,1-4H3,(H,21,22)/b14-13+
InChIKeyHUSWPICOSQEEHZ-BUHFOSPRSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
tert-butyl N-(2-formamidophenyl)carbamate;methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 142884369
tert-butyl N-[2-(2,2-difluoroethenyl)phenyl]carbamate
CID 169494610
tert-butyl N-[2-[(Z)-2-(4-bromo-2-formylphenyl)ethenyl]phenyl]carbamate
CID 131747329
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
tert-butyl N-(2-formylphenyl)carbamate;tert-butyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 160681330
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
CID 142008030
tert-butyl N-[2-[[4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzoyl]amino]phenyl]carbamate
CID 86602774
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate (CID 154704341) is tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate is Cc1ccc(/C=C/c2ccccc2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate?
The InChIKey is HUSWPICOSQEEHZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)13-14-17-7-5-6-8-18(17)21-19(22)23-20(2,3)4/h5-14H,1-4H3,(H,21,22)/b14-13+.
What are the key properties of tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate?
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate is sourced from PubChem (CID 154704341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).