N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide

C17H24N2O3 — CID 9327312

IUPACN'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-12-8-9-15(22-2)14(10-12)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBCZLNLIBFWHNOS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.27
Rot. Bonds4

About N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide

N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide (PubChem CID 9327312) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
PubChem CID9327312
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-12-8-9-15(22-2)14(10-12)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBCZLNLIBFWHNOS-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.27
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

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30171573
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]thiourea
CID 11937310
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide (CID 9327312) is N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide is COc1ccc(C)cc1CC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide?
The InChIKey is BCZLNLIBFWHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-8-9-15(22-2)14(10-12)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide?
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide has a molecular weight of 304.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 9327312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).