tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate

C11H20N2O3 — CID 118435659

IUPACtert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCNC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-7-13(8-6-12-9-14)10(15)16-11(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyQOWCLTVCYDDICU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.16
Rot. Bonds6

About tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate

tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate (PubChem CID 118435659) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate
PubChem CID118435659
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCNC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-7-13(8-6-12-9-14)10(15)16-11(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyQOWCLTVCYDDICU-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate (CID 118435659) is tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate is C=CCN(CCNC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate?
The InChIKey is QOWCLTVCYDDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-7-13(8-6-12-9-14)10(15)16-11(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate has a molecular weight of 228.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-formamidoethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 118435659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).