3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

C25H25N3O2 — CID 6895959

IUPAC3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-11-21-15-28(16-22(21)12-18(17)2)23-6-4-5-20(13-23)25(29)27-26-14-19-7-9-24(30-3)10-8-19/h4-14H,15-16H2,1-3H3,(H,27,29)/b26-14+
InChIKeyFTVZWUHTCMDFNS-VULFUBBASA-N
MW399.49 g/mol
LogP4.60
Rot. Bonds5

About 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6895959) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID6895959
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-11-21-15-28(16-22(21)12-18(17)2)23-6-4-5-20(13-23)25(29)27-26-14-19-7-9-24(30-3)10-8-19/h4-14H,15-16H2,1-3H3,(H,27,29)/b26-14+
InChIKeyFTVZWUHTCMDFNS-VULFUBBASA-N
XLogP4.60
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
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'}

Analyze 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]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

N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
CID 1240254
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137064419
N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 1350157
2-chloro-N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide
CID 2249500
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
CID 5123231
2-(4-methoxyphenyl)-N-[(2-nitrophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
CID 78614394
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135446581
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzamide
CID 6872466
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (CID 6895959) is 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1.
What is the InChIKey of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is FTVZWUHTCMDFNS-VULFUBBASA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-11-21-15-28(16-22(21)12-18(17)2)23-6-4-5-20(13-23)25(29)27-26-14-19-7-9-24(30-3)10-8-19/h4-14H,15-16H2,1-3H3,(H,27,29)/b26-14+.
What are the key properties of 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6895959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).