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

C12H19N3O2 — CID 116848944

IUPAC2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
SMILESCOc1c(C)cc(C)cc1C(N)C(=O)N(C)N
InChIInChI=1S/C12H19N3O2/c1-7-5-8(2)11(17-4)9(6-7)10(13)12(16)15(3)14/h5-6,10H,13-14H2,1-4H3
InChIKeyRUXURMYHIOYBCN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds3

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

2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide (PubChem CID 116848944) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
PubChem CID116848944
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
SMILESCOc1c(C)cc(C)cc1C(N)C(=O)N(C)N
InChIInChI=1S/C12H19N3O2/c1-7-5-8(2)11(17-4)9(6-7)10(13)12(16)15(3)14/h5-6,10H,13-14H2,1-4H3
InChIKeyRUXURMYHIOYBCN-UHFFFAOYSA-N
XLogP0.64
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
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-(2,4-dimethylphenyl)-N-methylacetohydrazide
CID 116848899
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
CID 116857475
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182
methyl 4-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 116940201
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
3-[[2-hydroxy-2-(2-methoxy-3,5-dimethylphenyl)ethyl]-methylamino]propanoic acid
CID 82216917

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide (CID 116848944) is 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide is COc1c(C)cc(C)cc1C(N)C(=O)N(C)N.
What is the InChIKey of 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
The InChIKey is RUXURMYHIOYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-5-8(2)11(17-4)9(6-7)10(13)12(16)15(3)14/h5-6,10H,13-14H2,1-4H3.
What are the key properties of 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide?
2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).