N-tert-butyl-4-morpholin-4-ylbut-2-enamide

C12H22N2O2 — CID 123556074

IUPACN-tert-butyl-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)(C)NC(=O)C=CCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-11(15)5-4-6-14-7-9-16-10-8-14/h4-5H,6-10H2,1-3H3,(H,13,15)
InChIKeyOIJQXVXWEBUWDA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds3

About N-tert-butyl-4-morpholin-4-ylbut-2-enamide

N-tert-butyl-4-morpholin-4-ylbut-2-enamide (PubChem CID 123556074) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-tert-butyl-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-4-morpholin-4-ylbut-2-enamide
PubChem CID123556074
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-tert-butyl-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)(C)NC(=O)C=CCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-11(15)5-4-6-14-7-9-16-10-8-14/h4-5H,6-10H2,1-3H3,(H,13,15)
InChIKeyOIJQXVXWEBUWDA-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of N-tert-butyl-4-morpholin-4-ylbut-2-enamide (CID 123556074) is N-tert-butyl-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for N-tert-butyl-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for N-tert-butyl-4-morpholin-4-ylbut-2-enamide is CC(C)(C)NC(=O)C=CCN1CCOCC1.
What is the InChIKey of N-tert-butyl-4-morpholin-4-ylbut-2-enamide?
The InChIKey is OIJQXVXWEBUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)13-11(15)5-4-6-14-7-9-16-10-8-14/h4-5H,6-10H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-4-morpholin-4-ylbut-2-enamide?
N-tert-butyl-4-morpholin-4-ylbut-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 123556074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).