2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide

C12H19N3O2 — CID 116849362

IUPAC2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1cc(C)c(C)cc1OC
InChIInChI=1S/C12H19N3O2/c1-7-5-9(10(17-4)6-8(7)2)11(13)12(16)15-14-3/h5-6,11,14H,13H2,1-4H3,(H,15,16)
InChIKeySXIRLHIOICPMFJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds4

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

2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide (PubChem CID 116849362) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
PubChem CID116849362
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
SMILESCNNC(=O)C(N)c1cc(C)c(C)cc1OC
InChIInChI=1S/C12H19N3O2/c1-7-5-9(10(17-4)6-8(7)2)11(13)12(16)15-14-3/h5-6,11,14H,13H2,1-4H3,(H,15,16)
InChIKeySXIRLHIOICPMFJ-UHFFFAOYSA-N
XLogP0.56
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-N'-methylpropanehydrazide
CID 116847044
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-(4-methoxy-3-methylphenyl)-N'-methylpropanehydrazide
CID 116846983
2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
CID 116849471
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
2-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116847004
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide?
The IUPAC name of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide (CID 116849362) is 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide is CNNC(=O)C(N)c1cc(C)c(C)cc1OC.
What is the InChIKey of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide?
The InChIKey is SXIRLHIOICPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-5-9(10(17-4)6-8(7)2)11(13)12(16)15-14-3/h5-6,11,14H,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide?
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide is sourced from PubChem (CID 116849362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).