2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide

C23H24N4O3 — CID 99085781

IUPAC2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)c2ccc(OCc3cccnc3)cc2)cc1C
InChIInChI=1S/C23H24N4O3/c1-16-5-8-20(12-17(16)2)26-22(28)15-30-27-23(24)19-6-9-21(10-7-19)29-14-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeyFUXIQCKCDRSILM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.55
Rot. Bonds8

About 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide

2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide (PubChem CID 99085781) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
PubChem CID99085781
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)c2ccc(OCc3cccnc3)cc2)cc1C
InChIInChI=1S/C23H24N4O3/c1-16-5-8-20(12-17(16)2)26-22(28)15-30-27-23(24)19-6-9-21(10-7-19)29-14-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeyFUXIQCKCDRSILM-UHFFFAOYSA-N
XLogP3.55
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 75264610
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
CID 47079159
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
N-(2-methoxy-5-methylphenyl)-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525115
N'-[2-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
CID 167943972

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide (CID 99085781) is 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C(\N)c2ccc(OCc3cccnc3)cc2)cc1C.
What is the InChIKey of 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is FUXIQCKCDRSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-5-8-20(12-17(16)2)26-22(28)15-30-27-23(24)19-6-9-21(10-7-19)29-14-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H2,24,27)(H,26,28).
What are the key properties of 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 99085781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).