tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol

C12H25NO4 — CID 118599413

IUPACtert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol
SMILESC=CCN(CCO)C(=O)OC(C)(C)C.CCO
InChIInChI=1S/C10H19NO3.C2H6O/c1-5-6-11(7-8-12)9(13)14-10(2,3)4;1-2-3/h5,12H,1,6-8H2,2-4H3;3H,2H2,1H3
InChIKeyUHNDGTYVXWUTJQ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol

tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol (PubChem CID 118599413) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol
PubChem CID118599413
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol
SMILESC=CCN(CCO)C(=O)OC(C)(C)C.CCO
InChIInChI=1S/C10H19NO3.C2H6O/c1-5-6-11(7-8-12)9(13)14-10(2,3)4;1-2-3/h5,12H,1,6-8H2,2-4H3;3H,2H2,1H3
InChIKeyUHNDGTYVXWUTJQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol (CID 118599413) is tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol is C=CCN(CCO)C(=O)OC(C)(C)C.CCO.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol?
The InChIKey is UHNDGTYVXWUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2H6O/c1-5-6-11(7-8-12)9(13)14-10(2,3)4;1-2-3/h5,12H,1,6-8H2,2-4H3;3H,2H2,1H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol?
tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol has a molecular weight of 247.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate;ethanol is sourced from PubChem (CID 118599413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).