(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide

C13H24N2O2 — CID 176757928

IUPAC(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-11(12(16)14-13(2,3)4)10-15-6-8-17-9-7-15/h5H,6-10H2,1-4H3,(H,14,16)/b11-5+
InChIKeyPYOMHIHOKTVQAK-VZUCSPMQSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds3

About (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide

(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide (PubChem CID 176757928) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide
PubChem CID176757928
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-11(12(16)14-13(2,3)4)10-15-6-8-17-9-7-15/h5H,6-10H2,1-4H3,(H,14,16)/b11-5+
InChIKeyPYOMHIHOKTVQAK-VZUCSPMQSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
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 (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide (CID 176757928) is (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide is C/C=C(\CN1CCOCC1)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The InChIKey is PYOMHIHOKTVQAK-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-11(12(16)14-13(2,3)4)10-15-6-8-17-9-7-15/h5H,6-10H2,1-4H3,(H,14,16)/b11-5+.
What are the key properties of (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide?
(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 176757928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).