tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate

C22H22N2O2 — CID 142008030

IUPACtert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(/C=C/c2ccncc2)c2ccccc12
InChIInChI=1S/C22H22N2O2/c1-22(2,3)26-21(25)24-20-11-10-17(18-6-4-5-7-19(18)20)9-8-16-12-14-23-15-13-16/h4-15H,1-3H3,(H,24,25)/b9-8+
InChIKeyQJVUQBWKZWABFE-CMDGGOBGSA-N
MW346.43 g/mol
LogP5.75
Rot. Bonds3

About tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate

tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate (PubChem CID 142008030) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
PubChem CID142008030
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Nametert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(/C=C/c2ccncc2)c2ccccc12
InChIInChI=1S/C22H22N2O2/c1-22(2,3)26-21(25)24-20-11-10-17(18-6-4-5-7-19(18)20)9-8-16-12-14-23-15-13-16/h4-15H,1-3H3,(H,24,25)/b9-8+
InChIKeyQJVUQBWKZWABFE-CMDGGOBGSA-N
XLogP5.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
CID 53238550
tert-butyl N-(5-formylquinolin-8-yl)carbamate
CID 155816847
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
CID 162509514
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
CID 59553417
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate (CID 142008030) is tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(/C=C/c2ccncc2)c2ccccc12.
What is the InChIKey of tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate?
The InChIKey is QJVUQBWKZWABFE-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-22(2,3)26-21(25)24-20-11-10-17(18-6-4-5-7-19(18)20)9-8-16-12-14-23-15-13-16/h4-15H,1-3H3,(H,24,25)/b9-8+.
What are the key properties of tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate?
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate is sourced from PubChem (CID 142008030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).