2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide

C12H18N2O2 — CID 116844882

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
SMILESCOc1c(C)cc(CC(=O)N(C)N)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-11(15)14(3)13)6-9(2)12(8)16-4/h5-6H,7,13H2,1-4H3
InChIKeyHKRPIJMSUDMHMG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide

2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide (PubChem CID 116844882) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
PubChem CID116844882
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
SMILESCOc1c(C)cc(CC(=O)N(C)N)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-11(15)14(3)13)6-9(2)12(8)16-4/h5-6H,7,13H2,1-4H3
InChIKeyHKRPIJMSUDMHMG-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
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

ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
2-(3-ethyl-4-methoxy-5-methylphenyl)acetamide
CID 143330540
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate
CID 83823720
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide (CID 116844882) is 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide is COc1c(C)cc(CC(=O)N(C)N)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The InChIKey is HKRPIJMSUDMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-10(7-11(15)14(3)13)6-9(2)12(8)16-4/h5-6H,7,13H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116844882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).