3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide

C13H21N3O3 — CID 116849248

IUPAC3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
SMILESCOc1cc(C)c(C(N)CC(=O)N(C)N)cc1OC
InChIInChI=1S/C13H21N3O3/c1-8-5-11(18-3)12(19-4)6-9(8)10(14)7-13(17)16(2)15/h5-6,10H,7,14-15H2,1-4H3
InChIKeyTWDJUGGAAFHYBB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.73
Rot. Bonds5

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

3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide (PubChem CID 116849248) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
PubChem CID116849248
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
SMILESCOc1cc(C)c(C(N)CC(=O)N(C)N)cc1OC
InChIInChI=1S/C13H21N3O3/c1-8-5-11(18-3)12(19-4)6-9(8)10(14)7-13(17)16(2)15/h5-6,10H,7,14-15H2,1-4H3
InChIKeyTWDJUGGAAFHYBB-UHFFFAOYSA-N
XLogP0.73
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
CID 116859967
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
3-amino-1-(4,5-dimethoxy-2-methylphenyl)butan-1-one
CID 116915618
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide (CID 116849248) is 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide is COc1cc(C)c(C(N)CC(=O)N(C)N)cc1OC.
What is the InChIKey of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide?
The InChIKey is TWDJUGGAAFHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-5-11(18-3)12(19-4)6-9(8)10(14)7-13(17)16(2)15/h5-6,10H,7,14-15H2,1-4H3.
What are the key properties of 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide?
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide has a molecular weight of 267.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).