2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide

C12H22N2O2 — CID 123822393

IUPAC2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide
SMILESCC(C)=C(C)C(=O)NCC1COCCN1C
InChIInChI=1S/C12H22N2O2/c1-9(2)10(3)12(15)13-7-11-8-16-6-5-14(11)4/h11H,5-8H2,1-4H3,(H,13,15)
InChIKeyYEDLUULCIYGFBW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds3

About 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide

2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide (PubChem CID 123822393) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide
PubChem CID123822393
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide
SMILESCC(C)=C(C)C(=O)NCC1COCCN1C
InChIInChI=1S/C12H22N2O2/c1-9(2)10(3)12(15)13-7-11-8-16-6-5-14(11)4/h11H,5-8H2,1-4H3,(H,13,15)
InChIKeyYEDLUULCIYGFBW-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
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 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide?
The IUPAC name of 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide (CID 123822393) is 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide.
What is the SMILES notation for 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide?
The canonical SMILES for 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide is CC(C)=C(C)C(=O)NCC1COCCN1C.
What is the InChIKey of 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide?
The InChIKey is YEDLUULCIYGFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)10(3)12(15)13-7-11-8-16-6-5-14(11)4/h11H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide?
2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide is sourced from PubChem (CID 123822393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).