N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide

C12H22N2O2 — CID 139774764

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)12(15)13-11(5)14-6-9(3)16-10(4)7-14/h9-11H,1,6-7H2,2-5H3,(H,13,15)
InChIKeyNVFGOTISZRRXSL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.13
Rot. Bonds3

About N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide

N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 139774764) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide
PubChem CID139774764
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)12(15)13-11(5)14-6-9(3)16-10(4)7-14/h9-11H,1,6-7H2,2-5H3,(H,13,15)
InChIKeyNVFGOTISZRRXSL-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide (CID 139774764) is N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)N1CC(C)OC(C)C1.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is NVFGOTISZRRXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)12(15)13-11(5)14-6-9(3)16-10(4)7-14/h9-11H,1,6-7H2,2-5H3,(H,13,15).
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide?
N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139774764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).