(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide

C18H20N4O2 — CID 135637878

IUPAC(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
SMILESCC(=N\Nc1ccccc1C)/C(=N/O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N4O2/c1-12-8-4-6-10-15(12)19-18(23)17(22-24)14(3)20-21-16-11-7-5-9-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17-
InChIKeySYDPWUKHUMXQIB-DXAIXTPVSA-N
MW324.38 g/mol
LogP3.56
Rot. Bonds5

About (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide

(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide (PubChem CID 135637878) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
PubChem CID135637878
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
SMILESCC(=N\Nc1ccccc1C)/C(=N/O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N4O2/c1-12-8-4-6-10-15(12)19-18(23)17(22-24)14(3)20-21-16-11-7-5-9-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17-
InChIKeySYDPWUKHUMXQIB-DXAIXTPVSA-N
XLogP3.56
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
CID 136658152
(2E,3E)-3-(diaminomethylidenehydrazinylidene)-2-hydroxyimino-N-(2-methylphenyl)butanamide
CID 135922317
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 125115588
3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
trimethyl-[2-[(2E)-2-[(3E)-4-(2-methylanilino)-3-[(4-methyl-2-nitrophenyl)hydrazinylidene]-4-oxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]azanium
CID 93474711
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-3-oxobutanamide
CID 7154

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide?
The IUPAC name of (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide (CID 135637878) is (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide.
What is the SMILES notation for (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide?
The canonical SMILES for (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide is CC(=N\Nc1ccccc1C)/C(=N/O)C(=O)Nc1ccccc1C.
What is the InChIKey of (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide?
The InChIKey is SYDPWUKHUMXQIB-DXAIXTPVSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-8-4-6-10-15(12)19-18(23)17(22-24)14(3)20-21-16-11-7-5-9-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17-.
What are the key properties of (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide?
(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide is sourced from PubChem (CID 135637878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).