2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide

C11H17N3O2 — CID 116848433

IUPAC2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
SMILESCOc1cc(C)c(C(N)C(=O)NN)cc1C
InChIInChI=1S/C11H17N3O2/c1-6-5-9(16-3)7(2)4-8(6)10(12)11(15)14-13/h4-5,10H,12-13H2,1-3H3,(H,14,15)
InChIKeyVXSWCNSZHUQWEV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.30
Rot. Bonds3

About 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide

2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide (PubChem CID 116848433) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
PubChem CID116848433
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
SMILESCOc1cc(C)c(C(N)C(=O)NN)cc1C
InChIInChI=1S/C11H17N3O2/c1-6-5-9(16-3)7(2)4-8(6)10(12)11(15)14-13/h4-5,10H,12-13H2,1-3H3,(H,14,15)
InChIKeyVXSWCNSZHUQWEV-UHFFFAOYSA-N
XLogP0.30
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
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

2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-3-(methylamino)propanoic acid
CID 116957354
2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
CID 116848462
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide?
The IUPAC name of 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide (CID 116848433) is 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide.
What is the SMILES notation for 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide?
The canonical SMILES for 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide is COc1cc(C)c(C(N)C(=O)NN)cc1C.
What is the InChIKey of 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide?
The InChIKey is VXSWCNSZHUQWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6-5-9(16-3)7(2)4-8(6)10(12)11(15)14-13/h4-5,10H,12-13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide?
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide has a molecular weight of 223.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide is sourced from PubChem (CID 116848433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).