tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate

C15H23NO3 — CID 141256411

IUPACtert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-5-18-11-13(12-9-7-6-8-10-12)16-14(17)19-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyCTKGHUNWGIHUHA-CYBMUJFWSA-N
MW265.35 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate

tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate (PubChem CID 141256411) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
PubChem CID141256411
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-5-18-11-13(12-9-7-6-8-10-12)16-14(17)19-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyCTKGHUNWGIHUHA-CYBMUJFWSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
CID 103786410
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]carbamate
CID 22859116
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-phenylpentanoate
CID 91612546
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
ethyl 2-[2-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 123923454
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate (CID 141256411) is tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate is CCOC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate?
The InChIKey is CTKGHUNWGIHUHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-11-13(12-9-7-6-8-10-12)16-14(17)19-15(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate?
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate is sourced from PubChem (CID 141256411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).