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

C12H19N3O3 — CID 116848790

IUPAC3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
SMILESCOc1cc(C(N)CC(=O)NN)c(OC)cc1C
InChIInChI=1S/C12H19N3O3/c1-7-4-11(18-3)8(5-10(7)17-2)9(13)6-12(16)15-14/h4-5,9H,6,13-14H2,1-3H3,(H,15,16)
InChIKeyWWUNGAJUBJBJCC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.39
Rot. Bonds5

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

3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide (PubChem CID 116848790) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
PubChem CID116848790
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
SMILESCOc1cc(C(N)CC(=O)NN)c(OC)cc1C
InChIInChI=1S/C12H19N3O3/c1-7-4-11(18-3)8(5-10(7)17-2)9(13)6-12(16)15-14/h4-5,9H,6,13-14H2,1-3H3,(H,15,16)
InChIKeyWWUNGAJUBJBJCC-UHFFFAOYSA-N
XLogP0.39
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.39
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

3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
CID 116955433
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide (CID 116848790) is 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide is COc1cc(C(N)CC(=O)NN)c(OC)cc1C.
What is the InChIKey of 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide?
The InChIKey is WWUNGAJUBJBJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-4-11(18-3)8(5-10(7)17-2)9(13)6-12(16)15-14/h4-5,9H,6,13-14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide?
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide has a molecular weight of 253.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide is sourced from PubChem (CID 116848790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).