N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C23H21N3O3 — CID 46496192

IUPACN-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-17(14-19)22(27)26-24-15-18-9-4-6-13-21(18)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15+
InChIKeyGGPSRDXFSYPHPX-BUVRLJJBSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 46496192) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID46496192
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-17(14-19)22(27)26-24-15-18-9-4-6-13-21(18)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15+
InChIKeyGGPSRDXFSYPHPX-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-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 46496192) is N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is COc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is GGPSRDXFSYPHPX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-17(14-19)22(27)26-24-15-18-9-4-6-13-21(18)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15+.
What are the key properties of N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide 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-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 46496192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).