2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide

C17H20N2O2 — CID 105351415

IUPAC2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1ccc(OCc2ccc(CC(=O)NN)cc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-3-8-16(9-13(12)2)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyYTDQCNIAFUYUAZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide

2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide (PubChem CID 105351415) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
PubChem CID105351415
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1ccc(OCc2ccc(CC(=O)NN)cc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-3-8-16(9-13(12)2)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyYTDQCNIAFUYUAZ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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'}

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Related Compounds

2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
4-[(3,4-dimethylphenoxy)methyl]-N-(2-ethylphenyl)benzamide
CID 1303331
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide (CID 105351415) is 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide is Cc1ccc(OCc2ccc(CC(=O)NN)cc2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is YTDQCNIAFUYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-8-16(9-13(12)2)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide?
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).