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

C17H25NO4 — CID 11001299

IUPACtert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)21-14(19)18(15(20)22-17(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyUBBCBDIQXSNCEQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.36
Rot. Bonds2

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

tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 11001299) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID11001299
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)21-14(19)18(15(20)22-17(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyUBBCBDIQXSNCEQ-UHFFFAOYSA-N
XLogP4.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 11001299) is tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is UBBCBDIQXSNCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)21-14(19)18(15(20)22-17(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3.
What are the key properties of tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 4.36, 2 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-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 11001299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).