N'-benzyl-3-methyl-N'-phenylbutanehydrazide

C18H22N2O — CID 39477039

IUPACN'-benzyl-3-methyl-N'-phenylbutanehydrazide
SMILESCC(C)CC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)13-18(21)19-20(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyAOABKXZQOCRJHH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.77
Rot. Bonds6

About N'-benzyl-3-methyl-N'-phenylbutanehydrazide

N'-benzyl-3-methyl-N'-phenylbutanehydrazide (PubChem CID 39477039) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-benzyl-3-methyl-N'-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-benzyl-3-methyl-N'-phenylbutanehydrazide
PubChem CID39477039
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN'-benzyl-3-methyl-N'-phenylbutanehydrazide
SMILESCC(C)CC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)13-18(21)19-20(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21)
InChIKeyAOABKXZQOCRJHH-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
CID 60550490
N'-benzyl-2,2,2-trifluoro-N'-phenylacetohydrazide
CID 71671643
N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 39476767
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
CID 60596176
N'-benzyl-3-methyl-N'-phenylthiophene-2-carbohydrazide
CID 39477042
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
CID 71792865
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide
CID 39476448
2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9206617
N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
CID 60573595
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-methyl-N'-phenylbutanehydrazide?
The IUPAC name of N'-benzyl-3-methyl-N'-phenylbutanehydrazide (CID 39477039) is N'-benzyl-3-methyl-N'-phenylbutanehydrazide.
What is the SMILES notation for N'-benzyl-3-methyl-N'-phenylbutanehydrazide?
The canonical SMILES for N'-benzyl-3-methyl-N'-phenylbutanehydrazide is CC(C)CC(=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-3-methyl-N'-phenylbutanehydrazide?
The InChIKey is AOABKXZQOCRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(2)13-18(21)19-20(17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,19,21).
What are the key properties of N'-benzyl-3-methyl-N'-phenylbutanehydrazide?
N'-benzyl-3-methyl-N'-phenylbutanehydrazide has a molecular weight of 282.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-methyl-N'-phenylbutanehydrazide is sourced from PubChem (CID 39477039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).