4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

C25H24N4O6 — CID 4288741

IUPAC4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H24N4O6/c1-34-21-10-8-20(9-11-21)25(31)26-14-13-24(30)28-27-16-19-7-12-23(22(15-19)29(32)33)35-17-18-5-3-2-4-6-18/h2-12,15-16H,13-14,17H2,1H3,(H,26,31)(H,28,30)
InChIKeyZZGFVFSQJLESFM-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.45
Rot. Bonds11

About 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4288741) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4288741
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H24N4O6/c1-34-21-10-8-20(9-11-21)25(31)26-14-13-24(30)28-27-16-19-7-12-23(22(15-19)29(32)33)35-17-18-5-3-2-4-6-18/h2-12,15-16H,13-14,17H2,1H3,(H,26,31)(H,28,30)
InChIKeyZZGFVFSQJLESFM-UHFFFAOYSA-N
XLogP3.45
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3560480
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
N-[3-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 5003395
4-methoxy-N-[3-[2-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5005619
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4044793
4-methoxy-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5154417
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] 4-methoxybenzoate
CID 6261751
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
methyl 2-[2-methoxy-4-[[3-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
CID 3532553

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 4288741) is 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is COc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is ZZGFVFSQJLESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-34-21-10-8-20(9-11-21)25(31)26-14-13-24(30)28-27-16-19-7-12-23(22(15-19)29(32)33)35-17-18-5-3-2-4-6-18/h2-12,15-16H,13-14,17H2,1H3,(H,26,31)(H,28,30).
What are the key properties of 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 476.49 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4288741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).