N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide

C18H21N3O2 — CID 143231345

IUPACN-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide
SMILESCCC(C)(NN)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-18(2,21-19)17(23)20-15-11-9-14(10-12-15)16(22)13-7-5-4-6-8-13/h4-12,21H,3,19H2,1-2H3,(H,20,23)
InChIKeyBRAJESZXOAUFIN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.49
Rot. Bonds6

About N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide

N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide (PubChem CID 143231345) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide
PubChem CID143231345
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide
SMILESCCC(C)(NN)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-18(2,21-19)17(23)20-15-11-9-14(10-12-15)16(22)13-7-5-4-6-8-13/h4-12,21H,3,19H2,1-2H3,(H,20,23)
InChIKeyBRAJESZXOAUFIN-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide?
The IUPAC name of N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide (CID 143231345) is N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide is CCC(C)(NN)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide?
The InChIKey is BRAJESZXOAUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-18(2,21-19)17(23)20-15-11-9-14(10-12-15)16(22)13-7-5-4-6-8-13/h4-12,21H,3,19H2,1-2H3,(H,20,23).
What are the key properties of N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide?
N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide has a molecular weight of 311.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide is sourced from PubChem (CID 143231345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).