2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

C25H24N4O5 — CID 126027173

IUPAC2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4O5/c30-24(25(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-26-18-19-11-12-22(23(17-19)29(32)33)28-13-15-34-16-14-28/h1-12,17-18,31H,13-16H2,(H,27,30)/b26-18-
InChIKeyQUTIBFXWSAWZAC-ITYLOYPMSA-N
MW460.49 g/mol
LogP2.82
Rot. Bonds7

About 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 126027173) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID126027173
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4O5/c30-24(25(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-26-18-19-11-12-22(23(17-19)29(32)33)28-13-15-34-16-14-28/h1-12,17-18,31H,13-16H2,(H,27,30)/b26-18-
InChIKeyQUTIBFXWSAWZAC-ITYLOYPMSA-N
XLogP2.82
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7032585
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015638
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 3793255
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
CID 126018279
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126016119
N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide
CID 5347393
(2S)-N-benzyl-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxypropanamide
CID 7550433
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide (CID 126027173) is 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is QUTIBFXWSAWZAC-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H24N4O5/c30-24(25(31,20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-26-18-19-11-12-22(23(17-19)29(32)33)28-13-15-34-16-14-28/h1-12,17-18,31H,13-16H2,(H,27,30)/b26-18-.
What are the key properties of 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 460.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 126027173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).