tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate

C20H26N2O4 — CID 11089644

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O4/c1-19(2,3)25-17(23)21-22(18(24)26-20(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13H,1-6H3,(H,21,23)
InChIKeyQWGJDRLIPQOFLR-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.02
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate (PubChem CID 11089644) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate
PubChem CID11089644
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O4/c1-19(2,3)25-17(23)21-22(18(24)26-20(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13H,1-6H3,(H,21,23)
InChIKeyQWGJDRLIPQOFLR-UHFFFAOYSA-N
XLogP5.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate (CID 11089644) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate is CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate?
The InChIKey is QWGJDRLIPQOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-19(2,3)25-17(23)21-22(18(24)26-20(4,5)6)16-12-11-14-9-7-8-10-15(14)13-16/h7-13H,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate has a molecular weight of 358.44 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-naphthalen-2-ylcarbamate is sourced from PubChem (CID 11089644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).