tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate

C17H21NO4 — CID 142389831

IUPACtert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1=CC(=O)COC1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18(10-13-7-5-4-6-8-13)14-9-15(19)12-21-11-14/h4-9H,10-12H2,1-3H3
InChIKeyLGOKHOYVYYKLQI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate

tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate (PubChem CID 142389831) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate
PubChem CID142389831
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nametert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1=CC(=O)COC1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18(10-13-7-5-4-6-8-13)14-9-15(19)12-21-11-14/h4-9H,10-12H2,1-3H3
InChIKeyLGOKHOYVYYKLQI-UHFFFAOYSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate (CID 142389831) is tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C1=CC(=O)COC1.
What is the InChIKey of tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate?
The InChIKey is LGOKHOYVYYKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18(10-13-7-5-4-6-8-13)14-9-15(19)12-21-11-14/h4-9H,10-12H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate?
tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate is sourced from PubChem (CID 142389831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).