3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide

C25H25N3O2 — CID 5065611

IUPAC3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide
SMILESCC(=CC(=O)N(C)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-19(18-23(29)28(2)22-16-10-5-11-17-22)26-27-25(30)24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-18,24,26H,1-2H3,(H,27,30)
InChIKeyRMEPNPWVECDVQD-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.01
Rot. Bonds7

About 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide

3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide (PubChem CID 5065611) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide.

Molecular Properties

Compound Name3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide
PubChem CID5065611
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide
SMILESCC(=CC(=O)N(C)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-19(18-23(29)28(2)22-16-10-5-11-17-22)26-27-25(30)24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-18,24,26H,1-2H3,(H,27,30)
InChIKeyRMEPNPWVECDVQD-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-methylanilino)-2-oxoethyl]-2,2-diphenylacetamide
CID 112996260
(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
N-(4-acetamidophenyl)-N-methyl-2,2-diphenylacetamide
CID 113094960
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
[(2,2-diphenylacetyl)amino]thiourea
CID 12636581
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
CID 4923946
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide?
The IUPAC name of 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide (CID 5065611) is 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide.
What is the SMILES notation for 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide?
The canonical SMILES for 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide is CC(=CC(=O)N(C)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide?
The InChIKey is RMEPNPWVECDVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19(18-23(29)28(2)22-16-10-5-11-17-22)26-27-25(30)24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-18,24,26H,1-2H3,(H,27,30).
What are the key properties of 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide?
3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide has a molecular weight of 399.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-diphenylacetyl)hydrazinyl]-N-methyl-N-phenylbut-2-enamide is sourced from PubChem (CID 5065611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).