3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide

C12H19N3O2 — CID 116850073

IUPAC3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCOc1ccccc1C(N)CC(=O)NN(C)C
InChIInChI=1S/C12H19N3O2/c1-15(2)14-12(16)8-10(13)9-6-4-5-7-11(9)17-3/h4-7,10H,8,13H2,1-3H3,(H,14,16)
InChIKeyZSYZQPZPDSVVEA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.68
Rot. Bonds5

About 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide

3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide (PubChem CID 116850073) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
PubChem CID116850073
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCOc1ccccc1C(N)CC(=O)NN(C)C
InChIInChI=1S/C12H19N3O2/c1-15(2)14-12(16)8-10(13)9-6-4-5-7-11(9)17-3/h4-7,10H,8,13H2,1-3H3,(H,14,16)
InChIKeyZSYZQPZPDSVVEA-UHFFFAOYSA-N
XLogP0.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
3-amino-N',N'-dimethyl-3-(1-methylindol-3-yl)propanehydrazide
CID 116850038
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171220001
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
CID 114232067
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide (CID 116850073) is 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide is COc1ccccc1C(N)CC(=O)NN(C)C.
What is the InChIKey of 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide?
The InChIKey is ZSYZQPZPDSVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)14-12(16)8-10(13)9-6-4-5-7-11(9)17-3/h4-7,10H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide?
3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116850073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).