tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate

C15H22N2O5 — CID 90144131

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H22N2O5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)10-7-8-16-11(18)9-10/h7-9H,1-6H3,(H,16,18)
InChIKeyMLNNAGQOQDLXGR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate (PubChem CID 90144131) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
PubChem CID90144131
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H22N2O5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)10-7-8-16-11(18)9-10/h7-9H,1-6H3,(H,16,18)
InChIKeyMLNNAGQOQDLXGR-UHFFFAOYSA-N
XLogP3.05
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate (CID 90144131) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate?
The InChIKey is MLNNAGQOQDLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-14(2,3)21-12(19)17(13(20)22-15(4,5)6)10-7-8-16-11(18)9-10/h7-9H,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate is sourced from PubChem (CID 90144131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).