N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide

C19H22N2O4 — CID 3473295

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-13-9-10-14(2)17(11-13)24-12-18(22)20-21-19(23)15(3)25-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXSVJKXYFBXTSRH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.30
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide (PubChem CID 3473295) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
PubChem CID3473295
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-13-9-10-14(2)17(11-13)24-12-18(22)20-21-19(23)15(3)25-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXSVJKXYFBXTSRH-UHFFFAOYSA-N
XLogP2.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide (CID 3473295) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide?
The InChIKey is XSVJKXYFBXTSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-9-10-14(2)17(11-13)24-12-18(22)20-21-19(23)15(3)25-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide is sourced from PubChem (CID 3473295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).