tert-butyl N-(1-phenylbutan-2-yl)carbamate

C15H23NO2 — CID 23541372

IUPACtert-butyl N-(1-phenylbutan-2-yl)carbamate
SMILESCCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17)
InChIKeyYTYFFFILBZACDT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-(1-phenylbutan-2-yl)carbamate

tert-butyl N-(1-phenylbutan-2-yl)carbamate (PubChem CID 23541372) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-(1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylbutan-2-yl)carbamate
PubChem CID23541372
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-(1-phenylbutan-2-yl)carbamate
SMILESCCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17)
InChIKeyYTYFFFILBZACDT-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylbutan-2-yl)carbamate (CID 23541372) is tert-butyl N-(1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylbutan-2-yl)carbamate is CCC(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-phenylbutan-2-yl)carbamate?
The InChIKey is YTYFFFILBZACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(1-phenylbutan-2-yl)carbamate?
tert-butyl N-(1-phenylbutan-2-yl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 23541372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).