N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide

C23H20N4O8 — CID 3367862

IUPACN-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O8/c1-2-34-22-11-16(5-10-21(22)35-14-15-3-6-17(7-4-15)26(30)31)13-24-25-23(29)19-12-18(27(32)33)8-9-20(19)28/h3-13,28H,2,14H2,1H3,(H,25,29)
InChIKeyXLNZJDNCNCKVHP-UHFFFAOYSA-N
MW480.43 g/mol
LogP3.95
Rot. Bonds10

About N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide

N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide (PubChem CID 3367862) has the molecular formula C23H20N4O8 and a molecular weight of 480.43 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
PubChem CID3367862
Molecular FormulaC23H20N4O8
Molecular Weight480.43 g/mol
Exact Mass480.13
IUPAC NameN-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O8/c1-2-34-22-11-16(5-10-21(22)35-14-15-3-6-17(7-4-15)26(30)31)13-24-25-23(29)19-12-18(27(32)33)8-9-20(19)28/h3-13,28H,2,14H2,1H3,(H,25,29)
InChIKeyXLNZJDNCNCKVHP-UHFFFAOYSA-N
XLogP3.95
TPSA166.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329395
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070788
N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506601
2-chloro-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135900983
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126266681
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831748
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657564
N-[(E)-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126328691
N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657887
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4527998
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 126061280

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide (CID 3367862) is N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide is CCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The InChIKey is XLNZJDNCNCKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O8/c1-2-34-22-11-16(5-10-21(22)35-14-15-3-6-17(7-4-15)26(30)31)13-24-25-23(29)19-12-18(27(32)33)8-9-20(19)28/h3-13,28H,2,14H2,1H3,(H,25,29).
What are the key properties of N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide has a molecular weight of 480.43 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 3367862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).