2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide

C12H19N3O3 — CID 116848546

IUPAC2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
SMILESCOc1cc(C(N)C(=O)NN)c(OC)c(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-7(2)11(18-4)8(5-9(6)17-3)10(13)12(16)15-14/h5,10H,13-14H2,1-4H3,(H,15,16)
InChIKeyICWRESPFIHFHGT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.31
Rot. Bonds4

About 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide

2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide (PubChem CID 116848546) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
PubChem CID116848546
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
SMILESCOc1cc(C(N)C(=O)NN)c(OC)c(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-7(2)11(18-4)8(5-9(6)17-3)10(13)12(16)15-14/h5,10H,13-14H2,1-4H3,(H,15,16)
InChIKeyICWRESPFIHFHGT-UHFFFAOYSA-N
XLogP0.31
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
CID 116848462
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide?
The IUPAC name of 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide (CID 116848546) is 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide.
What is the SMILES notation for 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide?
The canonical SMILES for 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide is COc1cc(C(N)C(=O)NN)c(OC)c(C)c1C.
What is the InChIKey of 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide?
The InChIKey is ICWRESPFIHFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-7(2)11(18-4)8(5-9(6)17-3)10(13)12(16)15-14/h5,10H,13-14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide?
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide has a molecular weight of 253.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide is sourced from PubChem (CID 116848546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).