N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide

C17H16N4O5 — CID 135813942

IUPACN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O5/c22-15-7-6-13(10-14(15)21(25)26)11-19-20-17(24)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H,18,23)(H,20,24)/b19-11-
InChIKeyKYPBJPNUDAHPGV-ODLFYWEKSA-N
MW356.34 g/mol
LogP1.11
Rot. Bonds6

About N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide

N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 135813942) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID135813942
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N4O5/c22-15-7-6-13(10-14(15)21(25)26)11-19-20-17(24)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H,18,23)(H,20,24)/b19-11-
InChIKeyKYPBJPNUDAHPGV-ODLFYWEKSA-N
XLogP1.11
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
2-hydroxy-N-[2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135750575

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide (CID 135813942) is N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is KYPBJPNUDAHPGV-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H16N4O5/c22-15-7-6-13(10-14(15)21(25)26)11-19-20-17(24)16(23)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,22H,8-9H2,(H,18,23)(H,20,24)/b19-11-.
What are the key properties of N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 356.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 135813942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).