(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide

C15H28N2O2 — CID 176758101

IUPAC(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide
SMILESC/C=C(/C(=O)NCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-6-13(14(18)16-11-15(3,4)5)12(2)17-7-9-19-10-8-17/h6,12H,7-11H2,1-5H3,(H,16,18)/b13-6+
InChIKeyWWVGYBMSAFIDKQ-AWNIVKPZSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds4

About (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide

(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide (PubChem CID 176758101) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide
PubChem CID176758101
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide
SMILESC/C=C(/C(=O)NCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-6-13(14(18)16-11-15(3,4)5)12(2)17-7-9-19-10-8-17/h6,12H,7-11H2,1-5H3,(H,16,18)/b13-6+
InChIKeyWWVGYBMSAFIDKQ-AWNIVKPZSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
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-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide (CID 176758101) is (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide is C/C=C(/C(=O)NCC(C)(C)C)C(C)N1CCOCC1.
What is the InChIKey of (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide?
The InChIKey is WWVGYBMSAFIDKQ-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-13(14(18)16-11-15(3,4)5)12(2)17-7-9-19-10-8-17/h6,12H,7-11H2,1-5H3,(H,16,18)/b13-6+.
What are the key properties of (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide?
(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide has a molecular weight of 268.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide is sourced from PubChem (CID 176758101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).