2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide

C12H18N2O2 — CID 116845305

IUPAC2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
SMILESCc1ccc(COCC(=O)N(C)N)cc1C
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14(3)13/h4-6H,7-8,13H2,1-3H3
InChIKeyKGTVKLXZAOXNCP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds4

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

2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide (PubChem CID 116845305) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
PubChem CID116845305
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
SMILESCc1ccc(COCC(=O)N(C)N)cc1C
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14(3)13/h4-6H,7-8,13H2,1-3H3
InChIKeyKGTVKLXZAOXNCP-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
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

N-methyl-2-(naphthalen-2-ylmethoxy)acetohydrazide
CID 116845423
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700
2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845415
N-methyl-2-[(5-methylfuran-2-yl)methoxy]acetohydrazide
CID 116845409
N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine
CID 58738332
2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]-N-methylacetohydrazide
CID 116845331
2-[(4-ethoxy-3-methylphenyl)methoxy]-N',N'-dimethylacetohydrazide
CID 116847879
(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
CID 102548255
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide?
The IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide (CID 116845305) is 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide is Cc1ccc(COCC(=O)N(C)N)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide?
The InChIKey is KGTVKLXZAOXNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14(3)13/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide?
2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide is sourced from PubChem (CID 116845305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).