(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide

C19H21N3O2 — CID 6386610

IUPAC(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1ccc(C)cc1)=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-8-10-17(11-9-14)20-18(23)12-15(2)21-22-19(24)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyPCXMFVYAEOQMIW-QNGOZBTKSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds6

About (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide

(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide (PubChem CID 6386610) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
PubChem CID6386610
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1ccc(C)cc1)=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-8-10-17(11-9-14)20-18(23)12-15(2)21-22-19(24)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyPCXMFVYAEOQMIW-QNGOZBTKSA-N
XLogP3.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
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

(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
N-(9-ethylcarbazol-3-yl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 3107347
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide (CID 6386610) is (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide is C/C(CC(=O)Nc1ccc(C)cc1)=N/NC(=O)Cc1ccccc1.
What is the InChIKey of (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The InChIKey is PCXMFVYAEOQMIW-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-8-10-17(11-9-14)20-18(23)12-15(2)21-22-19(24)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,20,23)(H,22,24)/b21-15-.
What are the key properties of (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide has a molecular weight of 323.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 6386610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).