tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate

C17H27NO2 — CID 10540505

IUPACtert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate
SMILESCCCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-5-6-12-15(13-14-10-8-7-9-11-14)18-16(19)20-17(2,3)4/h7-11,15H,5-6,12-13H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyUHOQEFGLDBCROP-OAHLLOKOSA-N
MW277.41 g/mol
LogP4.31
Rot. Bonds6

About tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate (PubChem CID 10540505) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate
PubChem CID10540505
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate
SMILESCCCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-5-6-12-15(13-14-10-8-7-9-11-14)18-16(19)20-17(2,3)4/h7-11,15H,5-6,12-13H2,1-4H3,(H,18,19)/t15-/m1/s1
InChIKeyUHOQEFGLDBCROP-OAHLLOKOSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate (CID 10540505) is tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate is CCCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate?
The InChIKey is UHOQEFGLDBCROP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-12-15(13-14-10-8-7-9-11-14)18-16(19)20-17(2,3)4/h7-11,15H,5-6,12-13H2,1-4H3,(H,18,19)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 10540505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).