tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate

C16H24N2O3 — CID 137450753

IUPACtert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-13-10-7-11-18(14(13)19)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,20)
InChIKeyBHYBJASYGFWGPT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate

tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate (PubChem CID 137450753) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate
PubChem CID137450753
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-13-10-7-11-18(14(13)19)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,20)
InChIKeyBHYBJASYGFWGPT-UHFFFAOYSA-N
XLogP3.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate (CID 137450753) is tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CCCCC2)c1=O.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate?
The InChIKey is BHYBJASYGFWGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-13-10-7-11-18(14(13)19)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate?
tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-2-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 137450753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).