2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide

C23H22N4O3 — CID 73385252

IUPAC2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H22N4O3/c28-23(25-24-15-21-12-7-13-22(14-21)27(29)30)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2,(H,25,28)
InChIKeyZNTURVSDTODQGH-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.75
Rot. Bonds9

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

2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 73385252) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
PubChem CID73385252
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H22N4O3/c28-23(25-24-15-21-12-7-13-22(14-21)27(29)30)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2,(H,25,28)
InChIKeyZNTURVSDTODQGH-UHFFFAOYSA-N
XLogP3.75
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.75
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-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742
2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 6112599
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide (CID 73385252) is 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide is O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZNTURVSDTODQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-23(25-24-15-21-12-7-13-22(14-21)27(29)30)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2,(H,25,28).
What are the key properties of 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide?
2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 73385252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).