2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide

C25H25N3O2 — CID 3376592

IUPAC2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1
InChIInChI=1S/C25H25N3O2/c1-16-13-18(3)23(19(4)14-16)15-26-28-24(29)20-9-11-21(12-10-20)27-25(30)22-8-6-5-7-17(22)2/h5-15H,1-4H3,(H,27,30)(H,28,29)
InChIKeyYFUIBSCFBSAQEK-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.94
Rot. Bonds5

About 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide

2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 3376592) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID3376592
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1
InChIInChI=1S/C25H25N3O2/c1-16-13-18(3)23(19(4)14-16)15-26-28-24(29)20-9-11-21(12-10-20)27-25(30)22-8-6-5-7-17(22)2/h5-15H,1-4H3,(H,27,30)(H,28,29)
InChIKeyYFUIBSCFBSAQEK-UHFFFAOYSA-N
XLogP4.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 3376592) is 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide is Cc1cc(C)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1.
What is the InChIKey of 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is YFUIBSCFBSAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-13-18(3)23(19(4)14-16)15-26-28-24(29)20-9-11-21(12-10-20)27-25(30)22-8-6-5-7-17(22)2/h5-15H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3376592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).