N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide

C15H18N2O3 — CID 51166015

IUPACN'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
SMILESCc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1
InChIInChI=1S/C15H18N2O3/c1-10-2-4-11(5-3-10)13(18)8-9-14(19)16-17-15(20)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyLPOPSFUENZCSKP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.52
Rot. Bonds5

About N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide

N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide (PubChem CID 51166015) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
PubChem CID51166015
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
SMILESCc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1
InChIInChI=1S/C15H18N2O3/c1-10-2-4-11(5-3-10)13(18)8-9-14(19)16-17-15(20)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyLPOPSFUENZCSKP-UHFFFAOYSA-N
XLogP1.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.52
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'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
CID 34262952
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51671096
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide (CID 51166015) is N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide is Cc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1.
What is the InChIKey of N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The InChIKey is LPOPSFUENZCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-2-4-11(5-3-10)13(18)8-9-14(19)16-17-15(20)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 51166015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).