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

C13H18N2O4 — CID 47102429

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
SMILESCOCC(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C13H18N2O4/c1-9-4-5-10(2)11(6-9)19-8-13(17)15-14-12(16)7-18-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyLCPQKHAGMQCHQI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds5

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

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide (PubChem CID 47102429) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
PubChem CID47102429
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
SMILESCOCC(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C13H18N2O4/c1-9-4-5-10(2)11(6-9)19-8-13(17)15-14-12(16)7-18-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyLCPQKHAGMQCHQI-UHFFFAOYSA-N
XLogP0.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
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-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-ethoxyphenyl)acetohydrazide
CID 27568812

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide (CID 47102429) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide is COCC(=O)NNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide?
The InChIKey is LCPQKHAGMQCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-4-5-10(2)11(6-9)19-8-13(17)15-14-12(16)7-18-3/h4-6H,7-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide has a molecular weight of 266.30 g/mol, XLogP of 0.48, 5 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-methoxyacetohydrazide is sourced from PubChem (CID 47102429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).