N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

C22H19N3O4 — CID 6167073

IUPACN-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-4-2-1-3-5-17)24-23-15-18-8-12-21(13-9-18)29-16-19-6-10-20(11-7-19)25(27)28/h1-13,15H,14,16H2,(H,24,26)/b23-15-
InChIKeyUTEGQTRHWBFSKJ-HAHDFKILSA-N
MW389.41 g/mol
LogP3.87
Rot. Bonds8

About N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 6167073) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
PubChem CID6167073
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-4-2-1-3-5-17)24-23-15-18-8-12-21(13-9-18)29-16-19-6-10-20(11-7-19)25(27)28/h1-13,15H,14,16H2,(H,24,26)/b23-15-
InChIKeyUTEGQTRHWBFSKJ-HAHDFKILSA-N
XLogP3.87
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4298225
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029805
N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-2-phenylacetamide
CID 7341048
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (CID 6167073) is N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is UTEGQTRHWBFSKJ-HAHDFKILSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-22(14-17-4-2-1-3-5-17)24-23-15-18-8-12-21(13-9-18)29-16-19-6-10-20(11-7-19)25(27)28/h1-13,15H,14,16H2,(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 389.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6167073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).