(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide

C13H24N2O2 — CID 134457034

IUPAC(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide
SMILESCCCC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-5-12(2)14-13(16)6-4-7-15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3,(H,14,16)/b6-4+
InChIKeyKFHLRRVHUKEJTP-GQCTYLIASA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds6

About (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide

(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide (PubChem CID 134457034) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide
PubChem CID134457034
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide
SMILESCCCC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-5-12(2)14-13(16)6-4-7-15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3,(H,14,16)/b6-4+
InChIKeyKFHLRRVHUKEJTP-GQCTYLIASA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide (CID 134457034) is (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide is CCCC(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide?
The InChIKey is KFHLRRVHUKEJTP-GQCTYLIASA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-12(2)14-13(16)6-4-7-15-8-10-17-11-9-15/h4,6,12H,3,5,7-11H2,1-2H3,(H,14,16)/b6-4+.
What are the key properties of (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide?
(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide is sourced from PubChem (CID 134457034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).