tert-butyl N-(3-pyridin-2-ylphenyl)carbamate

C16H18N2O2 — CID 53419021

IUPACtert-butyl N-(3-pyridin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-13-8-6-7-12(11-13)14-9-4-5-10-17-14/h4-11H,1-3H3,(H,18,19)
InChIKeyZLWHDYSKJLWMDA-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl N-(3-pyridin-2-ylphenyl)carbamate

tert-butyl N-(3-pyridin-2-ylphenyl)carbamate (PubChem CID 53419021) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-(3-pyridin-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-pyridin-2-ylphenyl)carbamate
PubChem CID53419021
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-(3-pyridin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-13-8-6-7-12(11-13)14-9-4-5-10-17-14/h4-11H,1-3H3,(H,18,19)
InChIKeyZLWHDYSKJLWMDA-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
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tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
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tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
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tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-pyridin-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-pyridin-2-ylphenyl)carbamate (CID 53419021) is tert-butyl N-(3-pyridin-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-pyridin-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-pyridin-2-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccccn2)c1.
What is the InChIKey of tert-butyl N-(3-pyridin-2-ylphenyl)carbamate?
The InChIKey is ZLWHDYSKJLWMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)20-15(19)18-13-8-6-7-12(11-13)14-9-4-5-10-17-14/h4-11H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(3-pyridin-2-ylphenyl)carbamate?
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate has a molecular weight of 270.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-pyridin-2-ylphenyl)carbamate is sourced from PubChem (CID 53419021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).