3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide

C13H20N2O2 — CID 116847579

IUPAC3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCCOc1ccc(CCC(=O)NN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-8-5-11(6-9-12)7-10-13(16)14-15(2)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,14,16)
InChIKeyXBSLBLICBBWIRY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide

3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide (PubChem CID 116847579) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
PubChem CID116847579
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCCOc1ccc(CCC(=O)NN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-8-5-11(6-9-12)7-10-13(16)14-15(2)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,14,16)
InChIKeyXBSLBLICBBWIRY-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116849927
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide (CID 116847579) is 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide is CCOc1ccc(CCC(=O)NN(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The InChIKey is XBSLBLICBBWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-12-8-5-11(6-9-12)7-10-13(16)14-15(2)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,14,16).
What are the key properties of 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116847579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).