tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate

C17H20BrNO2 — CID 118175828

IUPACtert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C17H20BrNO2/c1-11(19-16(20)21-17(2,3)4)13-6-5-12-7-8-15(18)10-14(12)9-13/h5-11H,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyNPACGEYWYDBBKK-LLVKDONJSA-N
MW350.26 g/mol
LogP5.19
Rot. Bonds2

About tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate (PubChem CID 118175828) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate
PubChem CID118175828
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Nametert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C17H20BrNO2/c1-11(19-16(20)21-17(2,3)4)13-6-5-12-7-8-15(18)10-14(12)9-13/h5-11H,1-4H3,(H,19,20)/t11-/m1/s1
InChIKeyNPACGEYWYDBBKK-LLVKDONJSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate (CID 118175828) is tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1ccc2ccc(Br)cc2c1.
What is the InChIKey of tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate?
The InChIKey is NPACGEYWYDBBKK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11(19-16(20)21-17(2,3)4)13-6-5-12-7-8-15(18)10-14(12)9-13/h5-11H,1-4H3,(H,19,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate has a molecular weight of 350.26 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]carbamate is sourced from PubChem (CID 118175828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).