N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C24H23N3O3 — CID 3900181

IUPACN-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C=NNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H23N3O3/c1-17-8-9-18(2)22(14-17)26-23(28)16-30-21-12-10-19(11-13-21)15-25-27-24(29)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyODENNKJJIGBXLI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.08
Rot. Bonds7

About N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 3900181) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID3900181
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(C=NNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H23N3O3/c1-17-8-9-18(2)22(14-17)26-23(28)16-30-21-12-10-19(11-13-21)15-25-27-24(29)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyODENNKJJIGBXLI-UHFFFAOYSA-N
XLogP4.08
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 3900181) is N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is Cc1ccc(C)c(NC(=O)COc2ccc(C=NNC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is ODENNKJJIGBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-8-9-18(2)22(14-17)26-23(28)16-30-21-12-10-19(11-13-21)15-25-27-24(29)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3900181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).