tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)

C13H18NO2Rb — CID 59934345

IUPACtert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)
SMILESCC(C)(C)OC(=O)NCCc1cc[c-]cc1.[Rb+]
InChIInChI=1S/C13H18NO2.Rb/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;/h5-8H,9-10H2,1-3H3,(H,14,15);/q-1;+1
InChIKeyNDBMHJLVBAXBIE-UHFFFAOYSA-N
MW305.76 g/mol
LogP-0.44
Rot. Bonds3

About tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)

tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+) (PubChem CID 59934345) has the molecular formula C13H18NO2Rb and a molecular weight of 305.76 g/mol. Its IUPAC name is tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+).

Molecular Properties

Compound Nametert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)
PubChem CID59934345
Molecular FormulaC13H18NO2Rb
Molecular Weight305.76 g/mol
Exact Mass305.05
IUPAC Nametert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)
SMILESCC(C)(C)OC(=O)NCCc1cc[c-]cc1.[Rb+]
InChIInChI=1S/C13H18NO2.Rb/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;/h5-8H,9-10H2,1-3H3,(H,14,15);/q-1;+1
InChIKeyNDBMHJLVBAXBIE-UHFFFAOYSA-N
XLogP-0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[2-(4-fluorocyclohexa-1,5-dien-1-yl)propyl]carbamate
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tert-butyl N-[5-(aminomethyl)-6-fluorocyclohexa-2,4-dien-1-yl]carbamate
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tert-butyl N-[(Z)-3-fluoro-4-(3-methyl-1,2-dihydropyridin-4-yl)but-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)?
The IUPAC name of tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+) (CID 59934345) is tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+).
What is the SMILES notation for tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)?
The canonical SMILES for tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+) is CC(C)(C)OC(=O)NCCc1cc[c-]cc1.[Rb+].
What is the InChIKey of tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)?
The InChIKey is NDBMHJLVBAXBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2.Rb/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11;/h5-8H,9-10H2,1-3H3,(H,14,15);/q-1;+1.
What are the key properties of tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+)?
tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+) has a molecular weight of 305.76 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylethyl)carbamate;rubidium(1+) is sourced from PubChem (CID 59934345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).