tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate

C20H25NO3 — CID 15880792

IUPACtert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21(15-14-17-10-6-4-7-11-17)23-16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyCSWKWMXTVMPOOQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.60
Rot. Bonds6

About tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate

tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate (PubChem CID 15880792) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
PubChem CID15880792
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21(15-14-17-10-6-4-7-11-17)23-16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyCSWKWMXTVMPOOQ-UHFFFAOYSA-N
XLogP4.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.60
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-(2-phenylethyl)-N-phenylmethoxycarbamate?
The IUPAC name of tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate (CID 15880792) is tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate.
What is the SMILES notation for tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
The canonical SMILES for tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate is CC(C)(C)OC(=O)N(CCc1ccccc1)OCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
The InChIKey is CSWKWMXTVMPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21(15-14-17-10-6-4-7-11-17)23-16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate has a molecular weight of 327.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylethyl)-N-phenylmethoxycarbamate is sourced from PubChem (CID 15880792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).