1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide

C15H22N2O2 — CID 116847386

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2c(C)cc(OC)c(C)c2C)CC1
InChIInChI=1S/C15H22N2O2/c1-9-8-12(19-5)10(2)11(3)13(9)15(6-7-15)14(18)17-16-4/h8,16H,6-7H2,1-5H3,(H,17,18)
InChIKeyZSQDEJQOFGLHOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds4

About 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide

1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide (PubChem CID 116847386) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide
PubChem CID116847386
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2c(C)cc(OC)c(C)c2C)CC1
InChIInChI=1S/C15H22N2O2/c1-9-8-12(19-5)10(2)11(3)13(9)15(6-7-15)14(18)17-16-4/h8,16H,6-7H2,1-5H3,(H,17,18)
InChIKeyZSQDEJQOFGLHOE-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
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

3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide
CID 116847331
1-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847330
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964011
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
1-(2-ethoxy-6-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 143330062
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide (CID 116847386) is 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide is CNNC(=O)C1(c2c(C)cc(OC)c(C)c2C)CC1.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide?
The InChIKey is ZSQDEJQOFGLHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-8-12(19-5)10(2)11(3)13(9)15(6-7-15)14(18)17-16-4/h8,16H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide?
1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide has a molecular weight of 262.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116847386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).