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

C16H24N2O3 — CID 43004014

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-6-10-15(19)17-18-16(20)13(4)21-14-9-7-8-11(2)12(14)3/h7-9,13H,5-6,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyLMIRJHSFSAYNHL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds6

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

N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide (PubChem CID 43004014) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
PubChem CID43004014
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-6-10-15(19)17-18-16(20)13(4)21-14-9-7-8-11(2)12(14)3/h7-9,13H,5-6,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyLMIRJHSFSAYNHL-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546624
N'-[2-(2-methylphenoxy)propanoyl]hexanehydrazide
CID 4955584
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
CID 24547272
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
N'-[2-(2-methoxyphenoxy)propanoyl]hexanehydrazide
CID 4955589
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
[(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-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
CID 55862167
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide (CID 43004014) is N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide is CCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide?
The InChIKey is LMIRJHSFSAYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-10-15(19)17-18-16(20)13(4)21-14-9-7-8-11(2)12(14)3/h7-9,13H,5-6,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.41, 6 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]pentanehydrazide is sourced from PubChem (CID 43004014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).