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

C13H21N3O3 — CID 116848706

IUPAC2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
SMILESCOc1cc(CC(N)C(=O)NN)c(OC)c(C)c1C
InChIInChI=1S/C13H21N3O3/c1-7-8(2)12(19-4)9(6-11(7)18-3)5-10(14)13(17)16-15/h6,10H,5,14-15H2,1-4H3,(H,16,17)
InChIKeyLGVXJWCYCOUPDC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.18
Rot. Bonds5

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

2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide (PubChem CID 116848706) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
PubChem CID116848706
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
SMILESCOc1cc(CC(N)C(=O)NN)c(OC)c(C)c1C
InChIInChI=1S/C13H21N3O3/c1-7-8(2)12(19-4)9(6-11(7)18-3)5-10(14)13(17)16-15/h6,10H,5,14-15H2,1-4H3,(H,16,17)
InChIKeyLGVXJWCYCOUPDC-UHFFFAOYSA-N
XLogP0.18
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.18
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-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide?
The IUPAC name of 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide (CID 116848706) is 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide?
The canonical SMILES for 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide is COc1cc(CC(N)C(=O)NN)c(OC)c(C)c1C.
What is the InChIKey of 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide?
The InChIKey is LGVXJWCYCOUPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7-8(2)12(19-4)9(6-11(7)18-3)5-10(14)13(17)16-15/h6,10H,5,14-15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide?
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide is sourced from PubChem (CID 116848706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).