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

C17H20N2O2 — CID 86071310

IUPACtert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyZSZAGFYXYNYUES-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.77
Rot. Bonds3

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

tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate (PubChem CID 86071310) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
PubChem CID86071310
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyZSZAGFYXYNYUES-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67775660
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67509164
methyl N-[(2R)-3,3-dimethyl-1-oxo-1-[2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
CID 58386205
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-N-[(4-pyridin-2-ylphenyl)methylamino]carbamate
CID 69022995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate (CID 86071310) is tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate?
The InChIKey is ZSZAGFYXYNYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11H,12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate?
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.77, 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-pyridin-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 86071310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).