3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide

C14H18IN3O2 — CID 164616817

IUPAC3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(C)c(I)c1)N1CCOCC1
InChIInChI=1S/C14H18IN3O2/c1-10-3-4-12(9-13(10)15)14(19)17-16-11(2)18-5-7-20-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,17,19)/b16-11+
InChIKeyCWSZBXQIJCWLKJ-LFIBNONCSA-N
MW387.22 g/mol
LogP2.00
Rot. Bonds2

About 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide

3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide (PubChem CID 164616817) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide
PubChem CID164616817
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC Name3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(C)c(I)c1)N1CCOCC1
InChIInChI=1S/C14H18IN3O2/c1-10-3-4-12(9-13(10)15)14(19)17-16-11(2)18-5-7-20-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,17,19)/b16-11+
InChIKeyCWSZBXQIJCWLKJ-LFIBNONCSA-N
XLogP2.00
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide?
The IUPAC name of 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide (CID 164616817) is 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(C)c(I)c1)N1CCOCC1.
What is the InChIKey of 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide?
The InChIKey is CWSZBXQIJCWLKJ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H18IN3O2/c1-10-3-4-12(9-13(10)15)14(19)17-16-11(2)18-5-7-20-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,17,19)/b16-11+.
What are the key properties of 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide?
3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide has a molecular weight of 387.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-[(E)-1-morpholin-4-ylethylideneamino]benzamide is sourced from PubChem (CID 164616817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).