2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione

C23H28N2O2 — CID 5012877

IUPAC2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione
SMILESCC(NN(Cc1ccccc1)c1ccccc1)C1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C23H28N2O2/c1-17(22-20(26)14-23(2,3)15-21(22)27)24-25(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,17,22,24H,14-16H2,1-3H3
InChIKeyIJZBBPHQBOMVBC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.16
Rot. Bonds6

About 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione

2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione (PubChem CID 5012877) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione
PubChem CID5012877
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione
SMILESCC(NN(Cc1ccccc1)c1ccccc1)C1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C23H28N2O2/c1-17(22-20(26)14-23(2,3)15-21(22)27)24-25(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,17,22,24H,14-16H2,1-3H3
InChIKeyIJZBBPHQBOMVBC-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(N-benzylanilino)-C-methylcarbonimidoyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4645406
N'-benzyl-3-methyl-N'-phenylbutanehydrazide
CID 39477039
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
2-(2-adamantyl)-1-benzyl-1-phenylhydrazine;hydrochloride
CID 70527531
2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylpropyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4922296
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
CID 60550490
N-benzyl-N-methyl-1-propan-2-ylcyclopropan-1-amine
CID 164769540
2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 1035443
2-[(R)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 26457313
5,5-dimethyl-3-[methyl(2-phenylethyl)amino]cyclohex-2-en-1-one
CID 13115143
N'-benzyl-2,2,2-trifluoro-N'-phenylacetohydrazide
CID 71671643

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione?
The IUPAC name of 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione (CID 5012877) is 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione.
What is the SMILES notation for 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione?
The canonical SMILES for 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione is CC(NN(Cc1ccccc1)c1ccccc1)C1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione?
The InChIKey is IJZBBPHQBOMVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(22-20(26)14-23(2,3)15-21(22)27)24-25(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,17,22,24H,14-16H2,1-3H3.
What are the key properties of 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione?
2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione has a molecular weight of 364.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-benzyl-2-phenylhydrazinyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione is sourced from PubChem (CID 5012877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).