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

C17H26N2O3 — CID 43008320

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C17H26N2O3/c1-5-6-7-11-16(20)18-19-17(21)14(4)22-15-10-8-9-12(2)13(15)3/h8-10,14H,5-7,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyXAVBGJRVJOLSLH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.80
Rot. Bonds7

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

N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide (PubChem CID 43008320) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
PubChem CID43008320
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C17H26N2O3/c1-5-6-7-11-16(20)18-19-17(21)14(4)22-15-10-8-9-12(2)13(15)3/h8-10,14H,5-7,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyXAVBGJRVJOLSLH-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.80
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

N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2-methylphenoxy)propanoyl]hexanehydrazide
CID 4955584
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546624
N'-[2-(2-methoxyphenoxy)propanoyl]hexanehydrazide
CID 4955589
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
CID 24547272
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide (CID 43008320) is N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide is CCCCCC(=O)NNC(=O)C(C)Oc1cccc(C)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide?
The InChIKey is XAVBGJRVJOLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-6-7-11-16(20)18-19-17(21)14(4)22-15-10-8-9-12(2)13(15)3/h8-10,14H,5-7,11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide has a molecular weight of 306.41 g/mol, XLogP of 2.80, 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)propanoyl]hexanehydrazide is sourced from PubChem (CID 43008320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).