tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate

C14H20BrNO3 — CID 59590125

IUPACtert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate
SMILESC[C@H](COc1ccc(Br)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20BrNO3/c1-10(16-13(17)19-14(2,3)4)9-18-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyWIHQWGAILKFWDB-SNVBAGLBSA-N
MW330.22 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate (PubChem CID 59590125) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate
PubChem CID59590125
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nametert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate
SMILESC[C@H](COc1ccc(Br)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20BrNO3/c1-10(16-13(17)19-14(2,3)4)9-18-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyWIHQWGAILKFWDB-SNVBAGLBSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
5-[(4-Bromophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725802
2-[2-(4-Bromophenoxy)acetylamino]propanoic acid
CID 2787613
N-[2-(4-bromophenoxy)ethyl]-2-methyl-2-propanamine hydrochloride
CID 2865166
N-[2-(4-bromophenoxy)ethyl]-2-butanamine oxalate
CID 2934415
2-[[(2S)-2-(4-bromophenoxy)propyl]amino]acetic acid
CID 54580887
2-[2-(4-Bromophenoxy)butylamino]acetic acid
CID 54581942
2-(4-bromophenoxy)-N-cyclopropylacetamide
CID 2631886
N-[2-(4-bromophenoxy)ethyl]acetamide
CID 16762877
US10351563, Example 1
CID 118429906
US10544120, Example 310
CID 145743319
US10544120, Example 506
CID 145743356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate (CID 59590125) is tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate is C[C@H](COc1ccc(Br)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate?
The InChIKey is WIHQWGAILKFWDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(16-13(17)19-14(2,3)4)9-18-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate has a molecular weight of 330.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(4-bromophenoxy)propan-2-yl]carbamate is sourced from PubChem (CID 59590125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).