tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate

C20H25NO3 — CID 134926215

IUPACtert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21-18(17-12-8-5-9-13-17)15-23-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyDMCGVRPIIQJAGY-SFHVURJKSA-N
MW327.42 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate

tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate (PubChem CID 134926215) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
PubChem CID134926215
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21-18(17-12-8-5-9-13-17)15-23-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyDMCGVRPIIQJAGY-SFHVURJKSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]carbamate
CID 22859116
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
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tert-butyl N-[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 124545804
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-[(2R)-1-phenylmethoxybut-3-yn-2-yl]carbamate
CID 131215086
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
benzyl N-(phenylmethoxycarbonylamino)carbamate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 143223921
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143223924

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate (CID 134926215) is tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate?
The InChIKey is DMCGVRPIIQJAGY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21-18(17-12-8-5-9-13-17)15-23-14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate?
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate is sourced from PubChem (CID 134926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).