2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

C22H19N3O4 — CID 4525378

IUPAC2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-9-11-20(12-10-17)25(27)28)24-23-15-19-7-4-8-21(13-19)29-16-18-5-2-1-3-6-18/h1-13,15H,14,16H2,(H,24,26)
InChIKeyVBZQBNLHKPIXKC-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.87
Rot. Bonds8

About 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4525378) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4525378
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-9-11-20(12-10-17)25(27)28)24-23-15-19-7-4-8-21(13-19)29-16-18-5-2-1-3-6-18/h1-13,15H,14,16H2,(H,24,26)
InChIKeyVBZQBNLHKPIXKC-UHFFFAOYSA-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

2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397217
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126056237
3-ethoxy-N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126326150
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4525378) is 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is VBZQBNLHKPIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-22(14-17-9-11-20(12-10-17)25(27)28)24-23-15-19-7-4-8-21(13-19)29-16-18-5-2-1-3-6-18/h1-13,15H,14,16H2,(H,24,26).
What are the key properties of 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide 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 2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4525378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).