1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine

C25H25N3O5 — CID 1280891

IUPAC1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H25N3O5/c1-31-25-16-19(5-10-24(25)33-18-20-3-2-4-23(15-20)28(29)30)17-26-21-6-8-22(9-7-21)27-11-13-32-14-12-27/h2-10,15-17H,11-14,18H2,1H3/b26-17+
InChIKeyZNVDKRNWSWRCIT-YZSQISJMSA-N
MW447.49 g/mol
LogP4.77
Rot. Bonds8

About 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1280891) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1280891
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H25N3O5/c1-31-25-16-19(5-10-24(25)33-18-20-3-2-4-23(15-20)28(29)30)17-26-21-6-8-22(9-7-21)27-11-13-32-14-12-27/h2-10,15-17H,11-14,18H2,1H3/b26-17+
InChIKeyZNVDKRNWSWRCIT-YZSQISJMSA-N
XLogP4.77
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1275998
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5334005
(Z)-1-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]-N-morpholin-4-ylmethanimine
CID 9143313
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
[2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate
CID 6961191
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
4-chloro-N-[(Z)-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195826
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 92884099
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
N-[(Z)-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 124542905

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1280891) is 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine is COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is ZNVDKRNWSWRCIT-YZSQISJMSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-31-25-16-19(5-10-24(25)33-18-20-3-2-4-23(15-20)28(29)30)17-26-21-6-8-22(9-7-21)27-11-13-32-14-12-27/h2-10,15-17H,11-14,18H2,1H3/b26-17+.
What are the key properties of 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 447.49 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1280891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).