N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

C26H27N3O3 — CID 5433101

IUPACN-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3/c1-17-13-18(2)15-23(14-17)32-16-25(30)29-28-20(4)21-9-11-22(12-10-21)27-26(31)24-8-6-5-7-19(24)3/h5-15H,16H2,1-4H3,(H,27,31)(H,29,30)/b28-20-
InChIKeyZTBNSNGDWIDQSO-RRAHZORUSA-N
MW429.52 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (PubChem CID 5433101) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
PubChem CID5433101
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3/c1-17-13-18(2)15-23(14-17)32-16-25(30)29-28-20(4)21-9-11-22(12-10-21)27-26(31)24-8-6-5-7-19(24)3/h5-15H,16H2,1-4H3,(H,27,31)(H,29,30)/b28-20-
InChIKeyZTBNSNGDWIDQSO-RRAHZORUSA-N
XLogP4.78
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.78
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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Related Compounds

N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 1376060
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6015269

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (CID 5433101) is N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is C/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The InChIKey is ZTBNSNGDWIDQSO-RRAHZORUSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-13-18(2)15-23(14-17)32-16-25(30)29-28-20(4)21-9-11-22(12-10-21)27-26(31)24-8-6-5-7-19(24)3/h5-15H,16H2,1-4H3,(H,27,31)(H,29,30)/b28-20-.
What are the key properties of N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 5433101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).