(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide

C19H22N8O3 — CID 125115588

IUPAC(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide
SMILESC/C(=N/N=C(N)N)C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C
InChIInChI=1S/C19H22N8O3/c1-11-8-9-15(16(10-11)27(29)30)24-25-17(13(3)23-26-19(20)21)18(28)22-14-7-5-4-6-12(14)2/h4-10,24H,1-3H3,(H,22,28)(H4,20,21,26)/b23-13-,25-17?
InChIKeyMUXGXZPMQXVLNA-JCUTXWQJSA-N
MW410.44 g/mol
LogP2.27
Rot. Bonds7

About (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide

(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide (PubChem CID 125115588) has the molecular formula C19H22N8O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide
PubChem CID125115588
Molecular FormulaC19H22N8O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide
SMILESC/C(=N/N=C(N)N)C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C
InChIInChI=1S/C19H22N8O3/c1-11-8-9-15(16(10-11)27(29)30)24-25-17(13(3)23-26-19(20)21)18(28)22-14-7-5-4-6-12(14)2/h4-10,24H,1-3H3,(H,22,28)(H4,20,21,26)/b23-13-,25-17?
InChIKeyMUXGXZPMQXVLNA-JCUTXWQJSA-N
XLogP2.27
TPSA173.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

trimethyl-[2-[(2E)-2-[(3E)-4-(2-methylanilino)-3-[(4-methyl-2-nitrophenyl)hydrazinylidene]-4-oxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]azanium
CID 93474711
(2E,3E)-3-(diaminomethylidenehydrazinylidene)-2-hydroxyimino-N-(2-methylphenyl)butanamide
CID 135922317
(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
CID 135637878
2,3-dimethyl-4-(4-methyl-2-nitroanilino)-4-oxobut-2-enoic acid
CID 76992857
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
ethyl (3E)-3-amino-3-[(4-methyl-2-nitrophenyl)hydrazinylidene]propanoate
CID 43834832
4-(2-methylanilino)-3-nitrobenzamide
CID 4883898
ethyl 2-chloro-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]acetate
CID 53395501
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
CID 136658152
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
[(E)-[(2Z)-2-[(4-methyl-2-nitrophenyl)carbamoyloxyimino]ethylidene]amino] N-(4-methyl-2-nitrophenyl)carbamate
CID 51064197

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide?
The IUPAC name of (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide (CID 125115588) is (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide?
The canonical SMILES for (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide is C/C(=N/N=C(N)N)C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C.
What is the InChIKey of (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide?
The InChIKey is MUXGXZPMQXVLNA-JCUTXWQJSA-N. The full InChI is InChI=1S/C19H22N8O3/c1-11-8-9-15(16(10-11)27(29)30)24-25-17(13(3)23-26-19(20)21)18(28)22-14-7-5-4-6-12(14)2/h4-10,24H,1-3H3,(H,22,28)(H4,20,21,26)/b23-13-,25-17?.
What are the key properties of (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide?
(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide has a molecular weight of 410.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 125115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).