1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone

C20H22N2O2 — CID 132544767

IUPAC1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone
SMILESCc1ccc(C(=O)/C(=N/c2ccccc2)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-9-17(14-16(15)2)19(23)20(22-10-12-24-13-11-22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3/b21-20-
InChIKeyXVQTVCKFTZYNDL-MRCUWXFGSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone

1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone (PubChem CID 132544767) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone
PubChem CID132544767
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone
SMILESCc1ccc(C(=O)/C(=N/c2ccccc2)N2CCOCC2)cc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-9-17(14-16(15)2)19(23)20(22-10-12-24-13-11-22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3/b21-20-
InChIKeyXVQTVCKFTZYNDL-MRCUWXFGSA-N
XLogP3.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone (CID 132544767) is 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone is Cc1ccc(C(=O)/C(=N/c2ccccc2)N2CCOCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone?
The InChIKey is XVQTVCKFTZYNDL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-9-17(14-16(15)2)19(23)20(22-10-12-24-13-11-22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3/b21-20-.
What are the key properties of 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone?
1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone has a molecular weight of 322.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-morpholin-4-yl-2-phenyliminoethanone is sourced from PubChem (CID 132544767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).