2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide

C13H20N2O3 — CID 18464106

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN1CCOCC1)C(=O)C(=C)C
InChIInChI=1S/C13H20N2O3/c1-4-12(16)15(13(17)11(2)3)6-5-14-7-9-18-10-8-14/h4H,1-2,5-10H2,3H3
InChIKeyALGFMKPTXOUUPD-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.44
Rot. Bonds5

About 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide

2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide (PubChem CID 18464106) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide
PubChem CID18464106
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCN1CCOCC1)C(=O)C(=C)C
InChIInChI=1S/C13H20N2O3/c1-4-12(16)15(13(17)11(2)3)6-5-14-7-9-18-10-8-14/h4H,1-2,5-10H2,3H3
InChIKeyALGFMKPTXOUUPD-UHFFFAOYSA-N
XLogP0.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide (CID 18464106) is 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCN1CCOCC1)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide?
The InChIKey is ALGFMKPTXOUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-12(16)15(13(17)11(2)3)6-5-14-7-9-18-10-8-14/h4H,1-2,5-10H2,3H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide?
2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide has a molecular weight of 252.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 18464106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).