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

C25H25N3O3 — CID 1376060

IUPACN-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-17-13-18(2)15-23(14-17)31-16-24(29)28-27-19(3)20-9-11-22(12-10-20)26-25(30)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyHVWYYTSGCSHBIO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.47
Rot. Bonds7

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

N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 1376060) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID1376060
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-17-13-18(2)15-23(14-17)31-16-24(29)28-27-19(3)20-9-11-22(12-10-20)26-25(30)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyHVWYYTSGCSHBIO-UHFFFAOYSA-N
XLogP4.47
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.47
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-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 5433101
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 1376060) is N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is HVWYYTSGCSHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-13-18(2)15-23(14-17)31-16-24(29)28-27-19(3)20-9-11-22(12-10-20)26-25(30)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 1376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).