N-t-butoxycarbonylamphetamine

C₁₄H₂₁NO₂ — CID 19706139

About N-t-butoxycarbonylamphetamine

N-t-butoxycarbonylamphetamine (PubChem CID 19706139) has the molecular formula C₁₄H₂₁NO₂ and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-(1-phenylpropan-2-yl)carbamate.

Molecular Properties

• Compound Name: N-t-butoxycarbonylamphetamine
• PubChem CID: 19706139
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.33 g/mol
• Exact Mass: 235.16
• IUPAC Name: tert-butyl N-(1-phenylpropan-2-yl)carbamate
• SMILES: CC(Cc1ccccc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
• InChIKey: NTQSCEHKRVIYNR-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-t-butoxycarbonylamphetamine?

The IUPAC name of N-t-butoxycarbonylamphetamine (CID 19706139) is tert-butyl N-(1-phenylpropan-2-yl)carbamate.

What is the SMILES notation for N-t-butoxycarbonylamphetamine?

The canonical SMILES for N-t-butoxycarbonylamphetamine is CC(Cc1ccccc1)NC(=O)OC(C)(C)C.

What is the InChIKey of N-t-butoxycarbonylamphetamine?

The InChIKey is NTQSCEHKRVIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16).

What are the key properties of N-t-butoxycarbonylamphetamine?

N-t-butoxycarbonylamphetamine has a molecular weight of 235.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-t-butoxycarbonylamphetamine is sourced from PubChem (CID 19706139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19706139 — identifiers, structure, computed properties (public domain)

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