2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide

C23H23N5O4 — CID 110341184

IUPAC2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23N5O4/c1-30-21-13-16(14-26-28-23(24)25)7-12-20(21)31-15-22(29)27-17-8-10-19(11-9-17)32-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,29)(H4,24,25,28)/b26-14+
InChIKeyJTKXYIFWHCSHCM-VULFUBBASA-N
MW433.47 g/mol
LogP3.11
Rot. Bonds9

About 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide

2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide (PubChem CID 110341184) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide
PubChem CID110341184
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23N5O4/c1-30-21-13-16(14-26-28-23(24)25)7-12-20(21)31-15-22(29)27-17-8-10-19(11-9-17)32-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,29)(H4,24,25,28)/b26-14+
InChIKeyJTKXYIFWHCSHCM-VULFUBBASA-N
XLogP3.11
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

benzyl N'-[[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168611956
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
CID 168592112
benzyl N'-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168611943
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168534931
ethyl 4-[[2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]acetyl]amino]benzoate
CID 168592108
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
4-[[2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetyl]amino]benzoic acid
CID 19617899
benzyl N'-[[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168613084
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide (CID 110341184) is 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide is COc1cc(/C=N/N=C(N)N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is JTKXYIFWHCSHCM-VULFUBBASA-N. The full InChI is InChI=1S/C23H23N5O4/c1-30-21-13-16(14-26-28-23(24)25)7-12-20(21)31-15-22(29)27-17-8-10-19(11-9-17)32-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,27,29)(H4,24,25,28)/b26-14+.
What are the key properties of 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide?
2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 110341184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).