tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate

C16H23NO4 — CID 170874039

IUPACtert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C1OCCO1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(18)17-13(14-19-9-10-20-14)11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyUEFUUWKXPFQFQX-CYBMUJFWSA-N
MW293.36 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate

tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate (PubChem CID 170874039) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
PubChem CID170874039
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C1OCCO1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(18)17-13(14-19-9-10-20-14)11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyUEFUUWKXPFQFQX-CYBMUJFWSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
tert-butyl N-[(1R)-1-(4-oxo-3,7-dihydro-2H-oxepin-2-yl)-2-phenylethyl]carbamate
CID 101251997
methyl (2R,3S)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]oxirane-2-carboxylate
CID 11404452
tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
CID 102317944
tert-butyl N-[(1S)-1-[(1R,2S,5S)-4-oxo-3-oxabicyclo[3.1.0]hexan-2-yl]-2-phenylethyl]carbamate
CID 100990528
tert-butyl N-[(1S)-1-(4-methyl-5-oxo-2H-furan-2-yl)-2-phenylethyl]carbamate
CID 11507971
tert-butyl N-[(1S)-1-(5-oxopiperazin-2-yl)-2-phenylethyl]carbamate
CID 71578907
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
methyl 2-[(2R,3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]oxiran-2-yl]acetate
CID 15195007
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate (CID 170874039) is tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C1OCCO1.
What is the InChIKey of tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate?
The InChIKey is UEFUUWKXPFQFQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(18)17-13(14-19-9-10-20-14)11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate?
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 170874039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).