N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide

C19H21N3O3 — CID 3334492

IUPACN-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-7-9-16(10-8-14)19(25)22-21-18(24)12-11-17(23)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyOZGYXIKOCGMFLW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.85
Rot. Bonds6

About N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3334492) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3334492
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-7-9-16(10-8-14)19(25)22-21-18(24)12-11-17(23)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyOZGYXIKOCGMFLW-UHFFFAOYSA-N
XLogP1.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
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-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
3-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzoic acid
CID 108745441
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[[(4-methylbenzoyl)amino]carbamothioyl]-3-phenylpropanamide
CID 3555573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide (CID 3334492) is N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide is Cc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is OZGYXIKOCGMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-7-9-16(10-8-14)19(25)22-21-18(24)12-11-17(23)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 339.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3334492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).