4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide

C13H20N2O3 — CID 116845076

IUPAC4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
SMILESCOc1ccc(OC)c(CCCC(=O)N(C)N)c1
InChIInChI=1S/C13H20N2O3/c1-15(14)13(16)6-4-5-10-9-11(17-2)7-8-12(10)18-3/h7-9H,4-6,14H2,1-3H3
InChIKeyWEXKRJIDBFHWEG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.36
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide

4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide (PubChem CID 116845076) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
PubChem CID116845076
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
SMILESCOc1ccc(OC)c(CCCC(=O)N(C)N)c1
InChIInChI=1S/C13H20N2O3/c1-15(14)13(16)6-4-5-10-9-11(17-2)7-8-12(10)18-3/h7-9H,4-6,14H2,1-3H3
InChIKeyWEXKRJIDBFHWEG-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide
CID 116844991
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
CID 120539314
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide (CID 116845076) is 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide is COc1ccc(OC)c(CCCC(=O)N(C)N)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide?
The InChIKey is WEXKRJIDBFHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(14)13(16)6-4-5-10-9-11(17-2)7-8-12(10)18-3/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide?
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide is sourced from PubChem (CID 116845076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).