N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide

C16H24N2O3 — CID 43007803

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C16H24N2O3/c1-10-8-7-9-13(11(10)2)21-12(3)14(19)17-18-15(20)16(4,5)6/h7-9,12H,1-6H3,(H,17,19)(H,18,20)
InChIKeyACFVQYKSEURSRD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds3

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide (PubChem CID 43007803) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
PubChem CID43007803
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(C)(C)C)c1C
InChIInChI=1S/C16H24N2O3/c1-10-8-7-9-13(11(10)2)21-12(3)14(19)17-18-15(20)16(4,5)6/h7-9,12H,1-6H3,(H,17,19)(H,18,20)
InChIKeyACFVQYKSEURSRD-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
CID 51155331
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide (CID 43007803) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)C(C)(C)C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide?
The InChIKey is ACFVQYKSEURSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-8-7-9-13(11(10)2)21-12(3)14(19)17-18-15(20)16(4,5)6/h7-9,12H,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.26, 3 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)propanoyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 43007803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).