sodium ethyl N-(2-phenylethyl)carbamate

C11H14NNaO2 — CID 20566463

IUPACsodium ethyl N-(2-phenylethyl)carbamate
SMILESCCOC(=O)NCCc1[c-]cccc1.[Na+]
InChIInChI=1S/C11H14NO2.Na/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10;/h3-6H,2,8-9H2,1H3,(H,12,13);/q-1;+1
InChIKeyUOBHOFDGNLDKTE-UHFFFAOYSA-N
MW215.23 g/mol
LogP-1.22
Rot. Bonds4

About sodium ethyl N-(2-phenylethyl)carbamate

sodium ethyl N-(2-phenylethyl)carbamate (PubChem CID 20566463) has the molecular formula C11H14NNaO2 and a molecular weight of 215.23 g/mol. Its IUPAC name is sodium ethyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namesodium ethyl N-(2-phenylethyl)carbamate
PubChem CID20566463
Molecular FormulaC11H14NNaO2
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Namesodium ethyl N-(2-phenylethyl)carbamate
SMILESCCOC(=O)NCCc1[c-]cccc1.[Na+]
InChIInChI=1S/C11H14NO2.Na/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10;/h3-6H,2,8-9H2,1H3,(H,12,13);/q-1;+1
InChIKeyUOBHOFDGNLDKTE-UHFFFAOYSA-N
XLogP-1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-1.22
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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ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
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CID 67715166
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ethyl N-propylcarbamate
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Frequently Asked Questions

What is the IUPAC name of sodium ethyl N-(2-phenylethyl)carbamate?
The IUPAC name of sodium ethyl N-(2-phenylethyl)carbamate (CID 20566463) is sodium ethyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for sodium ethyl N-(2-phenylethyl)carbamate?
The canonical SMILES for sodium ethyl N-(2-phenylethyl)carbamate is CCOC(=O)NCCc1[c-]cccc1.[Na+].
What is the InChIKey of sodium ethyl N-(2-phenylethyl)carbamate?
The InChIKey is UOBHOFDGNLDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2.Na/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10;/h3-6H,2,8-9H2,1H3,(H,12,13);/q-1;+1.
What are the key properties of sodium ethyl N-(2-phenylethyl)carbamate?
sodium ethyl N-(2-phenylethyl)carbamate has a molecular weight of 215.23 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 20566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).