tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

C15H23NO3 — CID 546012

IUPACtert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)
InChIKeyZYQALWFPRWPODR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (PubChem CID 546012) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
PubChem CID546012
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)
InChIKeyZYQALWFPRWPODR-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (CID 546012) is tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The InChIKey is ZYQALWFPRWPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 546012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).