tert-butyl N-(5-oxo-5-phenylpentyl)carbamate

C16H23NO3 — CID 14267859

IUPACtert-butyl N-(5-oxo-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyDJDVCMJMJKSDTB-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl N-(5-oxo-5-phenylpentyl)carbamate

tert-butyl N-(5-oxo-5-phenylpentyl)carbamate (PubChem CID 14267859) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-(5-oxo-5-phenylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxo-5-phenylpentyl)carbamate
PubChem CID14267859
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-(5-oxo-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyDJDVCMJMJKSDTB-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.56
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-(5-oxo-5-phenylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-oxo-5-phenylpentyl)carbamate (CID 14267859) is tert-butyl N-(5-oxo-5-phenylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxo-5-phenylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxo-5-phenylpentyl)carbamate is CC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(5-oxo-5-phenylpentyl)carbamate?
The InChIKey is DJDVCMJMJKSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(5-oxo-5-phenylpentyl)carbamate?
tert-butyl N-(5-oxo-5-phenylpentyl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxo-5-phenylpentyl)carbamate is sourced from PubChem (CID 14267859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).