(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide

C17H17N3O — CID 59883438

IUPAC(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide
SMILES[2H]N(/N=C(/C(=C)C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(2)16(20-19-15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h3-12,19H,1H2,2H3,(H,18,21)/b20-16-/i/hD
InChIKeyBXNJBHXNPSSWKD-WQLYNRPZSA-N
MW280.35 g/mol
LogP3.67
Rot. Bonds5

About (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide

(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide (PubChem CID 59883438) has the molecular formula C17H17N3O and a molecular weight of 280.35 g/mol. Its IUPAC name is (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide.

Molecular Properties

Compound Name(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide
PubChem CID59883438
Molecular FormulaC17H17N3O
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide
SMILES[2H]N(/N=C(/C(=C)C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(2)16(20-19-15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h3-12,19H,1H2,2H3,(H,18,21)/b20-16-/i/hD
InChIKeyBXNJBHXNPSSWKD-WQLYNRPZSA-N
XLogP3.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

deuteriomethane;ethane;N-phenylacetamide
CID 91156750
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
2-anilino-N-phenylprop-2-enamide
CID 20522355
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
cobalt;N-phenylacetamide
CID 158689050
nitrous acid;N-phenylacetamide
CID 174797407
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
2-cyclohexyl-N-phenylprop-2-enamide;ethane
CID 170964049
acetyl bromide;N-phenylacetamide
CID 175285562

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide?
The IUPAC name of (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide (CID 59883438) is (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide.
What is the SMILES notation for (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide?
The canonical SMILES for (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide is [2H]N(/N=C(/C(=C)C)C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide?
The InChIKey is BXNJBHXNPSSWKD-WQLYNRPZSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(2)16(20-19-15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h3-12,19H,1H2,2H3,(H,18,21)/b20-16-/i/hD.
What are the key properties of (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide?
(2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide has a molecular weight of 280.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[deuterio(phenyl)hydrazinylidene]-3-methyl-N-phenylbut-3-enamide is sourced from PubChem (CID 59883438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).