4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide

C23H28F3N3O — CID 163372573

IUPAC4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2ccc(C)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C23H28F3N3O/c1-7-28(5)14-27-21-11-16(3)19(10-17(21)4)22(30)29(6)13-18-9-8-15(2)20(12-18)23(24,25)26/h8-12,14H,7,13H2,1-6H3/b27-14+
InChIKeyAHPLRONSTXCZMD-MZJWZYIUSA-N
MW419.49 g/mol
LogP5.51
Rot. Bonds6

About 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide

4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 163372573) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID163372573
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2ccc(C)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C23H28F3N3O/c1-7-28(5)14-27-21-11-16(3)19(10-17(21)4)22(30)29(6)13-18-9-8-15(2)20(12-18)23(24,25)26/h8-12,14H,7,13H2,1-6H3/b27-14+
InChIKeyAHPLRONSTXCZMD-MZJWZYIUSA-N
XLogP5.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N-ethyl-N'-[4-[2-(4-ethylphenyl)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 163372451
N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655932
4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 163372690
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
CID 163372679
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655938
[2-(trifluoromethyl)-4-pyridinyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325248
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N'-[2,5-dimethyl-4-[5-(trifluoromethyl)indole-1-carbonyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 163372536
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
(5-bromo-4,4,5,5-tetrafluoropentyl) 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325300

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide (CID 163372573) is 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide is CCN(C)/C=N/c1cc(C)c(C(=O)N(C)Cc2ccc(C)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is AHPLRONSTXCZMD-MZJWZYIUSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-7-28(5)14-27-21-11-16(3)19(10-17(21)4)22(30)29(6)13-18-9-8-15(2)20(12-18)23(24,25)26/h8-12,14H,7,13H2,1-6H3/b27-14+.
What are the key properties of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide?
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 163372573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).