N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide

C20H25N3O2 — CID 60550490

IUPACN-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-16(2)20(25)21-14-19(24)22-23(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPHBVDBBXHDGYRS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.89
Rot. Bonds8

About N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide

N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide (PubChem CID 60550490) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
PubChem CID60550490
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-16(2)20(25)21-14-19(24)22-23(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPHBVDBBXHDGYRS-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-3-methyl-N'-phenylbutanehydrazide
CID 39477039
benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
CID 60596176
N'-benzyl-2,2,2-trifluoro-N'-phenylacetohydrazide
CID 71671643
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide
CID 155963661
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide
CID 39476448
N-benzyl-2-methyl-N-phenylbutanamide;ethyl(trimethyl)azanium
CID 91434931
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide (CID 60550490) is N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide is CCC(C)C(=O)NCC(=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide?
The InChIKey is PHBVDBBXHDGYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-16(2)20(25)21-14-19(24)22-23(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide?
N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide has a molecular weight of 339.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 60550490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).