tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate

C21H27NO2 — CID 134997675

IUPACtert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
SMILESCC[C@@H](Cc1ccccc1)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C21H27NO2/c1-5-17(15-16-11-7-6-8-12-16)18-13-9-10-14-19(18)22-20(23)24-21(2,3)4/h6-14,17H,5,15H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyLBUUGGLXOUPKOQ-KRWDZBQOSA-N
MW325.45 g/mol
LogP5.77
Rot. Bonds5

About tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate

tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate (PubChem CID 134997675) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
PubChem CID134997675
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
SMILESCC[C@@H](Cc1ccccc1)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C21H27NO2/c1-5-17(15-16-11-7-6-8-12-16)18-13-9-10-14-19(18)22-20(23)24-21(2,3)4/h6-14,17H,5,15H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKeyLBUUGGLXOUPKOQ-KRWDZBQOSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate (CID 134997675) is tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate is CC[C@@H](Cc1ccccc1)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate?
The InChIKey is LBUUGGLXOUPKOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-17(15-16-11-7-6-8-12-16)18-13-9-10-14-19(18)22-20(23)24-21(2,3)4/h6-14,17H,5,15H2,1-4H3,(H,22,23)/t17-/m0/s1.
What are the key properties of tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate?
tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate has a molecular weight of 325.45 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate is sourced from PubChem (CID 134997675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).