N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide

C16H20N2O3 — CID 34262952

IUPACN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
SMILESCc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1C
InChIInChI=1S/C16H20N2O3/c1-10-3-4-13(9-11(10)2)14(19)7-8-15(20)17-18-16(21)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPPLUKPPQWCMREI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.82
Rot. Bonds5

About N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide

N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide (PubChem CID 34262952) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
PubChem CID34262952
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
SMILESCc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1C
InChIInChI=1S/C16H20N2O3/c1-10-3-4-13(9-11(10)2)14(19)7-8-15(20)17-18-16(21)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyPPLUKPPQWCMREI-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.82
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-(4-methylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
CID 51166015
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
CID 9328625
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
CID 94272868
1-(3,4-dimethylphenyl)-4-piperidin-1-ylbutane-1,4-dione
CID 94282653
4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
CID 78856614
4-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]-4-oxobutanamide
CID 111460092
1-(2,3-dimethylphenyl)-3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]thiourea
CID 35780237
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29412251

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide (CID 34262952) is N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide is Cc1ccc(C(=O)CCC(=O)NNC(=O)C2CC2)cc1C.
What is the InChIKey of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
The InChIKey is PPLUKPPQWCMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-3-4-13(9-11(10)2)14(19)7-8-15(20)17-18-16(21)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide?
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 34262952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).