3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide

C17H20N2O3 — CID 12722073

IUPAC3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
SMILESCOc1ccc(CC(C(=O)NN)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-9-8-12(11-16(15)22-2)10-14(17(20)19-18)13-6-4-3-5-7-13/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)
InChIKeyVIADGOQUNAHANB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide

3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide (PubChem CID 12722073) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
PubChem CID12722073
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
SMILESCOc1ccc(CC(C(=O)NN)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-9-8-12(11-16(15)22-2)10-14(17(20)19-18)13-6-4-3-5-7-13/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)
InChIKeyVIADGOQUNAHANB-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
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

3-(3,4-dimethoxyphenyl)-2-diphenylphosphorylpropanehydrazide
CID 3615118
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]-2-phenylpropanoic acid
CID 22686314
3-chloro-4-(3,4-dimethoxyphenyl)butan-2-one
CID 82185003
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
CID 119312826

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide (CID 12722073) is 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide is COc1ccc(CC(C(=O)NN)c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide?
The InChIKey is VIADGOQUNAHANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-9-8-12(11-16(15)22-2)10-14(17(20)19-18)13-6-4-3-5-7-13/h3-9,11,14H,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide?
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide has a molecular weight of 300.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide is sourced from PubChem (CID 12722073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).