N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide

C21H26N2O4 — CID 55638715

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)COc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-6-5-7-18(11-17)26-12-20(24)22-23-21(25)13-27-19-10-15(3)8-9-16(19)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRYEGRXWNNHMLHV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.03
Rot. Bonds7

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide (PubChem CID 55638715) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
PubChem CID55638715
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)COc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)17-6-5-7-18(11-17)26-12-20(24)22-23-21(25)13-27-19-10-15(3)8-9-16(19)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRYEGRXWNNHMLHV-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-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
2-(2,5-dimethylphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079566
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
2-(2,5-dimethylphenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide
CID 3462212
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide (CID 55638715) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)COc2cccc(C(C)C)c2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is RYEGRXWNNHMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)17-6-5-7-18(11-17)26-12-20(24)22-23-21(25)13-27-19-10-15(3)8-9-16(19)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-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-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 55638715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).