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

C22H19N3O4 — CID 71950825

IUPAC2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-10-12-20(13-11-17)25(27)28)24-23-15-19-8-4-5-9-21(19)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,24,26)
InChIKeyROLVPOJAVCUDCQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.87
Rot. Bonds8

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

2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 71950825) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID71950825
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-22(14-17-10-12-20(13-11-17)25(27)28)24-23-15-19-8-4-5-9-21(19)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,24,26)
InChIKeyROLVPOJAVCUDCQ-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-(2-nitrophenyl)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 3403586
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 99944529
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126233278
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
[2-[[[2-(4-nitrophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3127361
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898170
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
2-(5-aminotetrazol-1-yl)-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6863094

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 71950825) is 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ROLVPOJAVCUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-22(14-17-10-12-20(13-11-17)25(27)28)24-23-15-19-8-4-5-9-21(19)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,24,26).
What are the key properties of 2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-nitrophenyl)-N-[(2-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-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71950825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).