N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide

C13H24N2O2 — CID 174363126

IUPACN-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)(C)CNC(=O)C=CCN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11-14-12(16)5-4-6-15-7-9-17-10-8-15/h4-5H,6-11H2,1-3H3,(H,14,16)
InChIKeyXMETZAAPZDJEEI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide

N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide (PubChem CID 174363126) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide
PubChem CID174363126
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)(C)CNC(=O)C=CCN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11-14-12(16)5-4-6-15-7-9-17-10-8-15/h4-5H,6-11H2,1-3H3,(H,14,16)
InChIKeyXMETZAAPZDJEEI-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
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-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide (CID 174363126) is N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide is CC(C)(C)CNC(=O)C=CCN1CCOCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide?
The InChIKey is XMETZAAPZDJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)11-14-12(16)5-4-6-15-7-9-17-10-8-15/h4-5H,6-11H2,1-3H3,(H,14,16).
What are the key properties of N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide?
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 174363126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).