tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate

C18H22N2O2 — CID 21027861

IUPACtert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-13-11-14-7-9-15(10-8-14)16-6-4-5-12-19-16/h4-10,12H,11,13H2,1-3H3,(H,20,21)
InChIKeyHKDYGUVBUGUZSI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate

tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate (PubChem CID 21027861) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
PubChem CID21027861
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nametert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-13-11-14-7-9-15(10-8-14)16-6-4-5-12-19-16/h4-10,12H,11,13H2,1-3H3,(H,20,21)
InChIKeyHKDYGUVBUGUZSI-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67775660
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67509164
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate (CID 21027861) is tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate?
The InChIKey is HKDYGUVBUGUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-13-11-14-7-9-15(10-8-14)16-6-4-5-12-19-16/h4-10,12H,11,13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate?
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 21027861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).