2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide

C17H20N2O2 — CID 79629052

IUPAC2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
SMILESCC(C)(COc1ccc(-c2ccccc2)cc1)C(=O)NN
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)19-18)12-21-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyCXKFSKUGJRXGGZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.75
Rot. Bonds5

About 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide

2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide (PubChem CID 79629052) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
PubChem CID79629052
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
SMILESCC(C)(COc1ccc(-c2ccccc2)cc1)C(=O)NN
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)19-18)12-21-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyCXKFSKUGJRXGGZ-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide 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

2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
methyl 2,2-dimethyl-5-(4-phenylphenoxy)pentanoate
CID 141200421
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
3-[(4-phenylphenoxy)methyl]pentan-3-ol
CID 114496033
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide (CID 79629052) is 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide is CC(C)(COc1ccc(-c2ccccc2)cc1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide?
The InChIKey is CXKFSKUGJRXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,16(20)19-18)12-21-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12,18H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide?
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide is sourced from PubChem (CID 79629052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).