N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

C23H21N3O3 — CID 118732938

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16-7-11-18(12-8-16)22(27)25-21-6-4-3-5-20(21)23(28)26-24-15-17-9-13-19(29-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15+
InChIKeyTWNNQXKRABGYSP-BUVRLJJBSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (PubChem CID 118732938) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
PubChem CID118732938
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16-7-11-18(12-8-16)22(27)25-21-6-4-3-5-20(21)23(28)26-24-15-17-9-13-19(29-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15+
InChIKeyTWNNQXKRABGYSP-BUVRLJJBSA-N
XLogP4.02
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.02
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-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (CID 118732938) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is TWNNQXKRABGYSP-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-7-11-18(12-8-16)22(27)25-21-6-4-3-5-20(21)23(28)26-24-15-17-9-13-19(29-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 118732938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).