N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide

C22H18N4O5 — CID 94847546

IUPACN'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
SMILESO=C(N/N=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18N4O5/c27-21(22(28)25-23-14-17-8-4-5-9-20(17)26(29)30)24-18-10-12-19(13-11-18)31-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27)(H,25,28)/b23-14-
InChIKeyYNTPTUYBGROZTJ-UCQKPKSFSA-N
MW418.41 g/mol
LogP3.26
Rot. Bonds7

About N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide

N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide (PubChem CID 94847546) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
PubChem CID94847546
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC NameN'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
SMILESO=C(N/N=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18N4O5/c27-21(22(28)25-23-14-17-8-4-5-9-20(17)26(29)30)24-18-10-12-19(13-11-18)31-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27)(H,25,28)/b23-14-
InChIKeyYNTPTUYBGROZTJ-UCQKPKSFSA-N
XLogP3.26
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
CID 5108255
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
ethyl 4-[[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 94846532

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide (CID 94847546) is N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide is O=C(N/N=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The InChIKey is YNTPTUYBGROZTJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-21(22(28)25-23-14-17-8-4-5-9-20(17)26(29)30)24-18-10-12-19(13-11-18)31-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27)(H,25,28)/b23-14-.
What are the key properties of N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide has a molecular weight of 418.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide is sourced from PubChem (CID 94847546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).