tert-butyl N-(4-oxo-4-phenylbutyl)carbamate

C15H21NO3 — CID 14267858

IUPACtert-butyl N-(4-oxo-4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,18)
InChIKeyBAEFUAYRWLKGRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl N-(4-oxo-4-phenylbutyl)carbamate

tert-butyl N-(4-oxo-4-phenylbutyl)carbamate (PubChem CID 14267858) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(4-oxo-4-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxo-4-phenylbutyl)carbamate
PubChem CID14267858
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(4-oxo-4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,18)
InChIKeyBAEFUAYRWLKGRC-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxo-4-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-oxo-4-phenylbutyl)carbamate (CID 14267858) is tert-butyl N-(4-oxo-4-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxo-4-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxo-4-phenylbutyl)carbamate is CC(C)(C)OC(=O)NCCCC(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(4-oxo-4-phenylbutyl)carbamate?
The InChIKey is BAEFUAYRWLKGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(4-oxo-4-phenylbutyl)carbamate?
tert-butyl N-(4-oxo-4-phenylbutyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxo-4-phenylbutyl)carbamate is sourced from PubChem (CID 14267858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).