N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide

C17H13N3O5 — CID 44592022

IUPACN-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO
InChIInChI=1S/C17H13N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-6,8-9,11,22H,12H2,(H,19,21)/b18-11+
InChIKeyOSJPFXGKTUJNDX-WOJGMQOQSA-N
MW339.31 g/mol
LogP2.00
Rot. Bonds5

About N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide

N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide (PubChem CID 44592022) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide
PubChem CID44592022
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO
InChIInChI=1S/C17H13N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-6,8-9,11,22H,12H2,(H,19,21)/b18-11+
InChIKeyOSJPFXGKTUJNDX-WOJGMQOQSA-N
XLogP2.00
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 7705187
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]-N-methyl-N-[[4-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]phenyl]methyl]methanamine
CID 11038652
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
CID 9172281
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
ethyl 3-[(E)-(4-nitrophenyl)methylideneamino]oxypropanoate
CID 11425592
(E)-1-(4-nitrophenyl)-5-phenylpent-1-en-4-yn-3-one
CID 14007342
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029805
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide?
The IUPAC name of N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide (CID 44592022) is N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide.
What is the SMILES notation for N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide?
The canonical SMILES for N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide is O=C(C#Cc1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide?
The InChIKey is OSJPFXGKTUJNDX-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-6,8-9,11,22H,12H2,(H,19,21)/b18-11+.
What are the key properties of N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide?
N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide has a molecular weight of 339.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide is sourced from PubChem (CID 44592022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).