tert-butyl N-methyl-N-phenylcarbamate;tungsten

C12H16NO2W- — CID 58630204

IUPACtert-butyl N-methyl-N-phenylcarbamate;tungsten
SMILESCN(C(=O)OC(C)(C)C)c1cc[c-]cc1.[W]
InChIInChI=1S/C12H16NO2.W/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;/h6-9H,1-4H3;/q-1;
InChIKeyODSUJGMFLRTAHA-UHFFFAOYSA-N
MW390.11 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl N-methyl-N-phenylcarbamate;tungsten

tert-butyl N-methyl-N-phenylcarbamate;tungsten (PubChem CID 58630204) has the molecular formula C12H16NO2W- and a molecular weight of 390.11 g/mol. Its IUPAC name is tert-butyl N-methyl-N-phenylcarbamate;tungsten.

Molecular Properties

Compound Nametert-butyl N-methyl-N-phenylcarbamate;tungsten
PubChem CID58630204
Molecular FormulaC12H16NO2W-
Molecular Weight390.11 g/mol
Exact Mass390.07
IUPAC Nametert-butyl N-methyl-N-phenylcarbamate;tungsten
SMILESCN(C(=O)OC(C)(C)C)c1cc[c-]cc1.[W]
InChIInChI=1S/C12H16NO2.W/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;/h6-9H,1-4H3;/q-1;
InChIKeyODSUJGMFLRTAHA-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-phenylcarbamate;tungsten?
The IUPAC name of tert-butyl N-methyl-N-phenylcarbamate;tungsten (CID 58630204) is tert-butyl N-methyl-N-phenylcarbamate;tungsten.
What is the SMILES notation for tert-butyl N-methyl-N-phenylcarbamate;tungsten?
The canonical SMILES for tert-butyl N-methyl-N-phenylcarbamate;tungsten is CN(C(=O)OC(C)(C)C)c1cc[c-]cc1.[W].
What is the InChIKey of tert-butyl N-methyl-N-phenylcarbamate;tungsten?
The InChIKey is ODSUJGMFLRTAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO2.W/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10;/h6-9H,1-4H3;/q-1;.
What are the key properties of tert-butyl N-methyl-N-phenylcarbamate;tungsten?
tert-butyl N-methyl-N-phenylcarbamate;tungsten has a molecular weight of 390.11 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-phenylcarbamate;tungsten is sourced from PubChem (CID 58630204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).