(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide

C14H26N2O2 — CID 131991601

IUPAC(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)14(3,4)15-13(17)6-5-7-16-8-10-18-11-9-16/h5-6,12H,7-11H2,1-4H3,(H,15,17)/b6-5+
InChIKeyBLGIKHIPOKKJMU-AATRIKPKSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds5

About (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide

(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide (PubChem CID 131991601) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
PubChem CID131991601
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)14(3,4)15-13(17)6-5-7-16-8-10-18-11-9-16/h5-6,12H,7-11H2,1-4H3,(H,15,17)/b6-5+
InChIKeyBLGIKHIPOKKJMU-AATRIKPKSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide with MolForge

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Related Compounds

N-[2-methyl-4-(morpholin-4-yl)butan-2-yl]prop-2-enamide
CID 567672
(E)-N-tert-butyl-4-morpholin-4-ylbut-2-enamide
CID 90066116
(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide
CID 118034453
N-tert-butyl-4-morpholin-4-ylbut-2-enamide
CID 123556074
(E)-N-(2-iodopropan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 132192044
(E)-4-morpholin-4-yl-N-pentan-2-ylbut-2-enamide
CID 134457034
(E)-N-ethyl-4-morpholin-4-ylbut-2-enamide
CID 138569235
ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide
CID 144771085
(E)-N-tert-butyl-4-[2-methoxyethyl(methyl)amino]but-2-enamide;2-methylpropane
CID 145666766
(E)-N-tert-butyl-4-[2-methoxyethyl(methyl)amino]but-2-enamide
CID 145666767
(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide
CID 146512604
ethane;(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide
CID 153546882

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide (CID 131991601) is (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide is CC(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The InChIKey is BLGIKHIPOKKJMU-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)14(3,4)15-13(17)6-5-7-16-8-10-18-11-9-16/h5-6,12H,7-11H2,1-4H3,(H,15,17)/b6-5+.
What are the key properties of (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 131991601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).