2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate

C19H28N2O4 — CID 3893137

IUPAC2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate
SMILESCCOCCO/C(=N\C(=O)c1ccc(C)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C19H28N2O4/c1-5-23-10-11-24-19(21-12-15(3)25-16(4)13-21)20-18(22)17-8-6-14(2)7-9-17/h6-9,15-16H,5,10-13H2,1-4H3/b20-19-
InChIKeyPQTJUIAFODNZRL-VXPUYCOJSA-N
MW348.44 g/mol
LogP2.65
Rot. Bonds5

About 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate

2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate (PubChem CID 3893137) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate.

Molecular Properties

Compound Name2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate
PubChem CID3893137
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate
SMILESCCOCCO/C(=N\C(=O)c1ccc(C)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C19H28N2O4/c1-5-23-10-11-24-19(21-12-15(3)25-16(4)13-21)20-18(22)17-8-6-14(2)7-9-17/h6-9,15-16H,5,10-13H2,1-4H3/b20-19-
InChIKeyPQTJUIAFODNZRL-VXPUYCOJSA-N
XLogP2.65
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate 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-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate?
The IUPAC name of 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate (CID 3893137) is 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate.
What is the SMILES notation for 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate?
The canonical SMILES for 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate is CCOCCO/C(=N\C(=O)c1ccc(C)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate?
The InChIKey is PQTJUIAFODNZRL-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-23-10-11-24-19(21-12-15(3)25-16(4)13-21)20-18(22)17-8-6-14(2)7-9-17/h6-9,15-16H,5,10-13H2,1-4H3/b20-19-.
What are the key properties of 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate?
2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate has a molecular weight of 348.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate is sourced from PubChem (CID 3893137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).