N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide

C20H22N4O4 — CID 3352206

IUPACN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H22N4O4/c1-13-4-9-18(14(2)12-13)21-19(25)10-11-20(26)23-22-15(3)16-5-7-17(8-6-16)24(27)28/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyPJTJRYYCWORHOR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.47
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide

N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide (PubChem CID 3352206) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
PubChem CID3352206
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H22N4O4/c1-13-4-9-18(14(2)12-13)21-19(25)10-11-20(26)23-22-15(3)16-5-7-17(8-6-16)24(27)28/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyPJTJRYYCWORHOR-UHFFFAOYSA-N
XLogP3.47
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
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'}

Analyze N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
CID 4115842
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-nitrobenzamide
CID 5089227
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
CID 2847008
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N-(2,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560053

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide (CID 3352206) is N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The InChIKey is PJTJRYYCWORHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-4-9-18(14(2)12-13)21-19(25)10-11-20(26)23-22-15(3)16-5-7-17(8-6-16)24(27)28/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide has a molecular weight of 382.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 3352206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).