tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate

C21H26INO4 — CID 67097763

IUPACtert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccc(I)cc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H26INO4/c1-21(2,3)27-20(25)23(15-19(24)16-7-5-4-6-8-16)13-14-26-18-11-9-17(22)10-12-18/h4-12,19,24H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyUOYXWPMUUFPIDZ-IBGZPJMESA-N
MW483.35 g/mol
LogP4.64
Rot. Bonds7

About tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate

tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate (PubChem CID 67097763) has the molecular formula C21H26INO4 and a molecular weight of 483.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate
PubChem CID67097763
Molecular FormulaC21H26INO4
Molecular Weight483.35 g/mol
Exact Mass483.09
IUPAC Nametert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccc(I)cc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H26INO4/c1-21(2,3)27-20(25)23(15-19(24)16-7-5-4-6-8-16)13-14-26-18-11-9-17(22)10-12-18/h4-12,19,24H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyUOYXWPMUUFPIDZ-IBGZPJMESA-N
XLogP4.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate (CID 67097763) is tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate is CC(C)(C)OC(=O)N(CCOc1ccc(I)cc1)C[C@H](O)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate?
The InChIKey is UOYXWPMUUFPIDZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26INO4/c1-21(2,3)27-20(25)23(15-19(24)16-7-5-4-6-8-16)13-14-26-18-11-9-17(22)10-12-18/h4-12,19,24H,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate?
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate has a molecular weight of 483.35 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate is sourced from PubChem (CID 67097763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).