tert-butyl N-(2-phenylethyl)carbamate;ethane

C15H25NO2 — CID 177159157

IUPACtert-butyl N-(2-phenylethyl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,14,15);1-2H3
InChIKeyLNFZCCBGAVURHW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl N-(2-phenylethyl)carbamate;ethane

tert-butyl N-(2-phenylethyl)carbamate;ethane (PubChem CID 177159157) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl N-(2-phenylethyl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(2-phenylethyl)carbamate;ethane
PubChem CID177159157
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl N-(2-phenylethyl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,14,15);1-2H3
InChIKeyLNFZCCBGAVURHW-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111136274
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111134350
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[2-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylethyl)carbamate;ethane?
The IUPAC name of tert-butyl N-(2-phenylethyl)carbamate;ethane (CID 177159157) is tert-butyl N-(2-phenylethyl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(2-phenylethyl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(2-phenylethyl)carbamate;ethane is CC.CC(C)(C)OC(=O)NCCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenylethyl)carbamate;ethane?
The InChIKey is LNFZCCBGAVURHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,14,15);1-2H3.
What are the key properties of tert-butyl N-(2-phenylethyl)carbamate;ethane?
tert-butyl N-(2-phenylethyl)carbamate;ethane has a molecular weight of 251.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylethyl)carbamate;ethane is sourced from PubChem (CID 177159157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).