Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate

C₁₉H₂₉NO₃ — CID 10286488

About Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate

Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate (PubChem CID 10286488) has the molecular formula C₁₉H₂₉NO₃ and a molecular weight of 319.44 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
• PubChem CID: 10286488
• Molecular Formula: C₁₉H₂₉NO₃
• Molecular Weight: 319.44 g/mol
• Exact Mass: 319.21
• IUPAC Name: tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
• SMILES: CCCCC(=O)C(C)C(NC(=O)OC(C)(C)C)c1ccccc1
• InChI: InChI=1S/C19H29NO3/c1-6-7-13-16(21)14(2)17(15-11-9-8-10-12-15)20-18(22)23-19(3,4)5/h8-12,14,17H,6-7,13H2,1-5H3,(H,20,22)
• InChIKey: CCCFYKSXGAAYPF-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.44
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?

The IUPAC name of Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate (CID 10286488) is tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate.

What is the SMILES notation for Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?

The canonical SMILES for Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate is CCCCC(=O)C(C)C(NC(=O)OC(C)(C)C)c1ccccc1.

What is the InChIKey of Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?

The InChIKey is CCCFYKSXGAAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-7-13-16(21)14(2)17(15-11-9-8-10-12-15)20-18(22)23-19(3,4)5/h8-12,14,17H,6-7,13H2,1-5H3,(H,20,22).

What are the key properties of Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?

Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate has a molecular weight of 319.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate is sourced from PubChem (CID 10286488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10286488 — identifiers, structure, computed properties (public domain)

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