N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H16N4O5 — CID 137064453

IUPACN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O5/c18-12-2-1-10(7-11(12)17(20)21)8-14-15-13(19)9-16-3-5-22-6-4-16/h1-2,7-8,18H,3-6,9H2,(H,15,19)/b14-8-
InChIKeySHPSTLJCSQEESM-ZSOIEALJSA-N
MW308.29 g/mol
LogP0.08
Rot. Bonds5

About N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 137064453) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID137064453
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC NameN-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O5/c18-12-2-1-10(7-11(12)17(20)21)8-14-15-13(19)9-16-3-5-22-6-4-16/h1-2,7-8,18H,3-6,9H2,(H,15,19)/b14-8-
InChIKeySHPSTLJCSQEESM-ZSOIEALJSA-N
XLogP0.08
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 135726770
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064455
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
N-[(E)-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001819
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6885934
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137121122

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 137064453) is N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is SHPSTLJCSQEESM-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H16N4O5/c18-12-2-1-10(7-11(12)17(20)21)8-14-15-13(19)9-16-3-5-22-6-4-16/h1-2,7-8,18H,3-6,9H2,(H,15,19)/b14-8-.
What are the key properties of N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 308.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 137064453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).