2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

C25H27N3O2 — CID 126384717

IUPAC2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1C
InChIInChI=1S/C25H27N3O2/c1-18-8-9-22(14-19(18)2)27-25(29)17-30-24-7-5-6-20(15-24)16-26-21-10-12-23(13-11-21)28(3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16+
InChIKeyIYHVRHZJIPXLDG-WGOQTCKBSA-N
MW401.51 g/mol
LogP5.14
Rot. Bonds7

About 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 126384717) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID126384717
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1C
InChIInChI=1S/C25H27N3O2/c1-18-8-9-22(14-19(18)2)27-25(29)17-30-24-7-5-6-20(15-24)16-26-21-10-12-23(13-11-21)28(3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16+
InChIKeyIYHVRHZJIPXLDG-WGOQTCKBSA-N
XLogP5.14
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide 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

2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384058
2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126376137
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
2-[3-[(3,4-dimethylphenyl)iminomethyl]phenoxy]acetic acid
CID 126205614
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
2-[4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222360
2-bromo-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126022248
3,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126023505
N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
CID 126017935
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126160299
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 126384717) is 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(N(C)C)cc3)c2)cc1C.
What is the InChIKey of 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is IYHVRHZJIPXLDG-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-8-9-22(14-19(18)2)27-25(29)17-30-24-7-5-6-20(15-24)16-26-21-10-12-23(13-11-21)28(3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16+.
What are the key properties of 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126384717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).