N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide

C16H24N2O3 — CID 17343961

IUPACN'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-4-5-6-10-15(19)17-18-16(20)11-21-14-9-7-8-12(2)13(14)3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZMOWZCGBDSKCFU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds7

About N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide

N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide (PubChem CID 17343961) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
PubChem CID17343961
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-4-5-6-10-15(19)17-18-16(20)11-21-14-9-7-8-12(2)13(14)3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZMOWZCGBDSKCFU-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-(2,3-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 17343916
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide
CID 17344047
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide
CID 17344054
N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954153

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide (CID 17343961) is N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1cccc(C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide?
The InChIKey is ZMOWZCGBDSKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-6-10-15(19)17-18-16(20)11-21-14-9-7-8-12(2)13(14)3/h7-9H,4-6,10-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide?
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide is sourced from PubChem (CID 17343961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).