1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide

C14H20N2O2 — CID 116844399

IUPAC1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCCC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(5-6-12(10)18-2)14(13(17)16-15)7-3-4-8-14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHFLACIJCPKJFNI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide

1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide (PubChem CID 116844399) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
PubChem CID116844399
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCCC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(5-6-12(10)18-2)14(13(17)16-15)7-3-4-8-14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHFLACIJCPKJFNI-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(4-methoxy-2,3-dimethylphenyl)cyclopropane-1-carbohydrazide
CID 116844174
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide (CID 116844399) is 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide is COc1ccc(C2(C(=O)NN)CCCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide?
The InChIKey is HFLACIJCPKJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-11(5-6-12(10)18-2)14(13(17)16-15)7-3-4-8-14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide?
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide has a molecular weight of 248.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 116844399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).