4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide

C25H25N3O4 — CID 4221647

IUPAC4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-31-22-13-11-20(12-14-22)25(30)26-16-15-24(29)28-27-17-21-9-5-6-10-23(21)32-18-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyZQHZQEMUDVSWEB-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.54
Rot. Bonds10

About 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide

4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide (PubChem CID 4221647) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
PubChem CID4221647
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-31-22-13-11-20(12-14-22)25(30)26-16-15-24(29)28-27-17-21-9-5-6-10-23(21)32-18-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyZQHZQEMUDVSWEB-UHFFFAOYSA-N
XLogP3.54
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.54
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-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 135715603
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4288741
4-methoxy-N-[3-[2-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5005619
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[3-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 4297906
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 45054684
N-[3-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 5003395
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide (CID 4221647) is 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide is COc1ccc(C(=O)NCCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide?
The InChIKey is ZQHZQEMUDVSWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-22-13-11-20(12-14-22)25(30)26-16-15-24(29)28-27-17-21-9-5-6-10-23(21)32-18-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide?
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide is sourced from PubChem (CID 4221647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).