N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide

C20H22N8O2 — CID 131882450

IUPACN-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=N/N=C(N)/C(N)=N/N=Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N8O2/c1-13(29)25-17-7-3-15(4-8-17)11-23-27-19(21)20(22)28-24-12-16-5-9-18(10-6-16)26-14(2)30/h3-12H,1-2H3,(H2,21,27)(H2,22,28)(H,25,29)(H,26,30)
InChIKeyDDUKWFXIXYOYBY-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.69
Rot. Bonds6

About N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide

N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide (PubChem CID 131882450) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
PubChem CID131882450
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=N/N=C(N)/C(N)=N/N=Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N8O2/c1-13(29)25-17-7-3-15(4-8-17)11-23-27-19(21)20(22)28-24-12-16-5-9-18(10-6-16)26-14(2)30/h3-12H,1-2H3,(H2,21,27)(H2,22,28)(H,25,29)(H,26,30)
InChIKeyDDUKWFXIXYOYBY-UHFFFAOYSA-N
XLogP1.69
TPSA159.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-methylurea
CID 89220020
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 89220059
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
[4-(hydroxyiminomethyl)phenyl]urea
CID 88614645
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 143848723
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide (CID 131882450) is N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(C=N/N=C(N)/C(N)=N/N=Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide?
The InChIKey is DDUKWFXIXYOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-13(29)25-17-7-3-15(4-8-17)11-23-27-19(21)20(22)28-24-12-16-5-9-18(10-6-16)26-14(2)30/h3-12H,1-2H3,(H2,21,27)(H2,22,28)(H,25,29)(H,26,30).
What are the key properties of N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide?
N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 131882450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).