N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide

C22H19N3O5 — CID 2315355

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O5/c1-29-21-13-17(7-12-20(21)30-15-16-5-3-2-4-6-16)14-23-24-22(26)18-8-10-19(11-9-18)25(27)28/h2-14H,15H2,1H3,(H,24,26)
InChIKeyWNTRJTISAOWZOE-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.95
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 2315355) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID2315355
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O5/c1-29-21-13-17(7-12-20(21)30-15-16-5-3-2-4-6-16)14-23-24-22(26)18-8-10-19(11-9-18)25(27)28/h2-14H,15H2,1H3,(H,24,26)
InChIKeyWNTRJTISAOWZOE-UHFFFAOYSA-N
XLogP3.95
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylidene]-4-nitrobenzohydrazide
CID 5340838
(Z)-N'-(1-(4-nitrophenyl)ethylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
CID 5400900
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6883246
4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6909766
[2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 6872491
[2-methoxy-6-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 6872610
3-nitro-N'-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}benzohydrazide
CID 6872816
[2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6872854
5-(2-{3-Nitrobenzoyl}carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzenesulfonate
CID 6872864
4-[(2E)-2-(3-ethoxy-4-{[(2-methylphenyl)carbonyl]oxy}benzylidene)hydrazinyl]benzoic acid
CID 9643730
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide (CID 2315355) is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide is COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is WNTRJTISAOWZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-29-21-13-17(7-12-20(21)30-15-16-5-3-2-4-6-16)14-23-24-22(26)18-8-10-19(11-9-18)25(27)28/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 405.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 2315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).