N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide

C21H26N2O4 — CID 2210337

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)26-12-19(24)22-23-20(25)13-27-21-15(3)6-5-7-16(21)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWXXXQMWZTVAHKN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (PubChem CID 2210337) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
PubChem CID2210337
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)26-12-19(24)22-23-20(25)13-27-21-15(3)6-5-7-16(21)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWXXXQMWZTVAHKN-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.03
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

N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (CID 2210337) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is WXXXQMWZTVAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)17-8-10-18(11-9-17)26-12-19(24)22-23-20(25)13-27-21-15(3)6-5-7-16(21)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 2210337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).