2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

C29H27N3O3 — CID 126027803

IUPAC2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(/C=N\N(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C29H27N3O3/c1-22-11-9-10-16-26(22)31-29(33)21-35-27-18-17-23(19-28(27)34-2)20-30-32(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-20H,21H2,1-2H3,(H,31,33)/b30-20-
InChIKeyZEGVQMUXGYXWEE-COEJQBHMSA-N
MW465.55 g/mol
LogP6.19
Rot. Bonds9

About 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 126027803) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
PubChem CID126027803
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(/C=N\N(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C29H27N3O3/c1-22-11-9-10-16-26(22)31-29(33)21-35-27-18-17-23(19-28(27)34-2)20-30-32(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-20H,21H2,1-2H3,(H,31,33)/b30-20-
InChIKeyZEGVQMUXGYXWEE-COEJQBHMSA-N
XLogP6.19
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-methoxy-N-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016968
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126158302
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680
2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126020516
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126015220
N'-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126158149
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126177562
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
3-hydroxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016312
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 19617913
2-[2-methoxy-4-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126367642

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (CID 126027803) is 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is COc1cc(/C=N\N(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is ZEGVQMUXGYXWEE-COEJQBHMSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-22-11-9-10-16-26(22)31-29(33)21-35-27-18-17-23(19-28(27)34-2)20-30-32(24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-20H,21H2,1-2H3,(H,31,33)/b30-20-.
What are the key properties of 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 465.55 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126027803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).