N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide

C17H18N2O3 — CID 968398

IUPACN'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-17(21)19-18-16(20)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyKTISJBQERYFJFO-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.76
Rot. Bonds5

About N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide

N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide (PubChem CID 968398) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
PubChem CID968398
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-17(21)19-18-16(20)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyKTISJBQERYFJFO-UHFFFAOYSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N'-[2-(4-methylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 4635694
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
2-(4-methylphenoxy)ethyl 2-phenylacetate
CID 55319310
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide (CID 968398) is N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide is Cc1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The InChIKey is KTISJBQERYFJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-17(21)19-18-16(20)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide?
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide has a molecular weight of 298.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 968398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).