tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C17H23NO5 — CID 15075046

IUPACtert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C17H23NO5/c1-16(2,3)22-14(20)18(15(21)23-17(4,5)6)13(19)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyUFBHBJHDSTZAKD-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.00
Rot. Bonds1

About tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 15075046) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID15075046
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nametert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C17H23NO5/c1-16(2,3)22-14(20)18(15(21)23-17(4,5)6)13(19)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyUFBHBJHDSTZAKD-UHFFFAOYSA-N
XLogP4.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 15075046) is tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is UFBHBJHDSTZAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-16(2,3)22-14(20)18(15(21)23-17(4,5)6)13(19)12-10-8-7-9-11-12/h7-11H,1-6H3.
What are the key properties of tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 321.37 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 15075046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).