4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

C24H23N3O4 — CID 51061317

IUPAC4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-30-21-13-11-19(12-14-21)24(29)25-16-23(28)27-26-15-20-9-5-6-10-22(20)31-17-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)/b26-15+
InChIKeyVOZCGPHAOSJDDR-CVKSISIWSA-N
MW417.47 g/mol
LogP3.15
Rot. Bonds9

About 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 51061317) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID51061317
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-30-21-13-11-19(12-14-21)24(29)25-16-23(28)27-26-15-20-9-5-6-10-22(20)31-17-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)/b26-15+
InChIKeyVOZCGPHAOSJDDR-CVKSISIWSA-N
XLogP3.15
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
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

4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 45054684
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
4-ethoxy-N-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3548938
N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 51061291
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51060854
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 51061317) is 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is VOZCGPHAOSJDDR-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-21-13-11-19(12-14-21)24(29)25-16-23(28)27-26-15-20-9-5-6-10-22(20)31-17-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)/b26-15+.
What are the key properties of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 51061317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).