tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane

C20H33NO4 — CID 143391209

IUPACtert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C18H27NO4.C2H6/c1-18(2,3)23-17(20)19-15-9-12-22-16(15)10-11-21-13-14-7-5-4-6-8-14;1-2/h4-8,15-16H,9-13H2,1-3H3,(H,19,20);1-2H3/t15-,16-;/m1./s1
InChIKeyWIHBAAYSSOXZAL-QNBGGDODSA-N
MW351.49 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane

tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane (PubChem CID 143391209) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
PubChem CID143391209
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Nametert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C18H27NO4.C2H6/c1-18(2,3)23-17(20)19-15-9-12-22-16(15)10-11-21-13-14-7-5-4-6-8-14;1-2/h4-8,15-16H,9-13H2,1-3H3,(H,19,20);1-2H3/t15-,16-;/m1./s1
InChIKeyWIHBAAYSSOXZAL-QNBGGDODSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[(3R,3aS,4R,6aR)-4-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl]carbamate
CID 122212288
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
tert-butyl N-[3-oxo-1-[4-(2-phenylmethoxyethyl)cyclohexyl]propyl]carbamate
CID 140644876
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
tert-butyl N-[(3S)-4-oxo-7-phenylmethoxyheptan-3-yl]carbamate
CID 165464633
tert-butyl N-[(1S)-3,3-dimethyl-1-(2-oxooxolan-3-yl)-5-phenylmethoxypentyl]carbamate
CID 22882496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane (CID 143391209) is tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane is CC.CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1CCOCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane?
The InChIKey is WIHBAAYSSOXZAL-QNBGGDODSA-N. The full InChI is InChI=1S/C18H27NO4.C2H6/c1-18(2,3)23-17(20)19-15-9-12-22-16(15)10-11-21-13-14-7-5-4-6-8-14;1-2/h4-8,15-16H,9-13H2,1-3H3,(H,19,20);1-2H3/t15-,16-;/m1./s1.
What are the key properties of tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane?
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane has a molecular weight of 351.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane is sourced from PubChem (CID 143391209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).