tert-butyl N-methyl-N-phenylmethoxycarbamate

C13H19NO3 — CID 14227181

IUPACtert-butyl N-methyl-N-phenylmethoxycarbamate
SMILESCN(OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14(4)16-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyFAXXWRUSZMAJIR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl N-methyl-N-phenylmethoxycarbamate

tert-butyl N-methyl-N-phenylmethoxycarbamate (PubChem CID 14227181) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-methyl-N-phenylmethoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-phenylmethoxycarbamate
PubChem CID14227181
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-methyl-N-phenylmethoxycarbamate
SMILESCN(OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14(4)16-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyFAXXWRUSZMAJIR-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-N-phenylmethoxycarbamate?
The IUPAC name of tert-butyl N-methyl-N-phenylmethoxycarbamate (CID 14227181) is tert-butyl N-methyl-N-phenylmethoxycarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-phenylmethoxycarbamate?
The canonical SMILES for tert-butyl N-methyl-N-phenylmethoxycarbamate is CN(OCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-phenylmethoxycarbamate?
The InChIKey is FAXXWRUSZMAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14(4)16-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-phenylmethoxycarbamate?
tert-butyl N-methyl-N-phenylmethoxycarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-phenylmethoxycarbamate is sourced from PubChem (CID 14227181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).