N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C16H21N5O6 — CID 155527114

IUPACN'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21N5O6/c22-14-3-2-12(10-13(14)21(25)26)11-18-19-16(24)15(23)17-4-1-5-20-6-8-27-9-7-20/h2-3,10-11,22H,1,4-9H2,(H,17,23)(H,19,24)/b18-11+
InChIKeyILJVOKWBKZNMKQ-WOJGMQOQSA-N
MW379.37 g/mol
LogP-0.41
Rot. Bonds7

About N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 155527114) has the molecular formula C16H21N5O6 and a molecular weight of 379.37 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID155527114
Molecular FormulaC16H21N5O6
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC NameN'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21N5O6/c22-14-3-2-12(10-13(14)21(25)26)11-18-19-16(24)15(23)17-4-1-5-20-6-8-27-9-7-20/h2-3,10-11,22H,1,4-9H2,(H,17,23)(H,19,24)/b18-11+
InChIKeyILJVOKWBKZNMKQ-WOJGMQOQSA-N
XLogP-0.41
TPSA146.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-({N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135517039
N-(3-morpholin-4-ylpropyl)-N'-[(E)-[3-[(2-nitrophenoxy)methyl]phenyl]methylideneamino]oxamide
CID 156014162
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 135479398
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 135813956
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 135813957
N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813991
N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135814020
N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135814021
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 137070113
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137168687
N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3757403

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 155527114) is N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is ILJVOKWBKZNMKQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H21N5O6/c22-14-3-2-12(10-13(14)21(25)26)11-18-19-16(24)15(23)17-4-1-5-20-6-8-27-9-7-20/h2-3,10-11,22H,1,4-9H2,(H,17,23)(H,19,24)/b18-11+.
What are the key properties of N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 379.37 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 155527114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).