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

C21H26N2O3 — CID 43006891

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
SMILESCCC(C(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-5-18(17-11-7-6-8-12-17)21(25)23-22-20(24)16(4)26-19-13-9-10-14(2)15(19)3/h6-13,16,18H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySKULBUAVGBEDKC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.41
Rot. Bonds6

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

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide (PubChem CID 43006891) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
PubChem CID43006891
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
SMILESCCC(C(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-5-18(17-11-7-6-8-12-17)21(25)23-22-20(24)16(4)26-19-13-9-10-14(2)15(19)3/h6-13,16,18H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySKULBUAVGBEDKC-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.41
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]-2-phenylmethoxypropanehydrazide
CID 55650544
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
[(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-(N-ethylanilino)acetyl]propanehydrazide
CID 55862167
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide (CID 43006891) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide is CCC(C(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide?
The InChIKey is SKULBUAVGBEDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-18(17-11-7-6-8-12-17)21(25)23-22-20(24)16(4)26-19-13-9-10-14(2)15(19)3/h6-13,16,18H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.41, 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]-2-phenylbutanehydrazide is sourced from PubChem (CID 43006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).