Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate

C₁₄H₂₁NO₃ — CID 12610931

About Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate

Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate (PubChem CID 12610931) has the molecular formula C₁₄H₂₁NO₃ and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate.

Molecular Properties

• Compound Name: Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate
• PubChem CID: 12610931
• Molecular Formula: C₁₄H₂₁NO₃
• Molecular Weight: 251.33 g/mol
• Exact Mass: 251.15
• IUPAC Name: tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate
• SMILES: CN(CC(O)c1ccccc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)10-12(16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3
• InChIKey: PCQJVQVOOVYDST-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.33
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate?

The IUPAC name of Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate (CID 12610931) is tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate.

What is the SMILES notation for Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate?

The canonical SMILES for Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate is CN(CC(O)c1ccccc1)C(=O)OC(C)(C)C.

What is the InChIKey of Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate?

The InChIKey is PCQJVQVOOVYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)10-12(16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3.

What are the key properties of Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate?

Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate is sourced from PubChem (CID 12610931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12610931 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.