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

C21H27N3O3 — CID 55862167

IUPAC2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
SMILESCCN(CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-5-24(18-11-7-6-8-12-18)14-20(25)22-23-21(26)17(4)27-19-13-9-10-15(2)16(19)3/h6-13,17H,5,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyDOEOJRHWIYFAEB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds7

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

2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide (PubChem CID 55862167) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
PubChem CID55862167
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
SMILESCCN(CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C21H27N3O3/c1-5-24(18-11-7-6-8-12-18)14-20(25)22-23-21(26)17(4)27-19-13-9-10-15(2)16(19)3/h6-13,17H,5,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyDOEOJRHWIYFAEB-UHFFFAOYSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-phenylbutanehydrazide
CID 43006891
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
[(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-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546624
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide (CID 55862167) is 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide is CCN(CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C)c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide?
The InChIKey is DOEOJRHWIYFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-24(18-11-7-6-8-12-18)14-20(25)22-23-21(26)17(4)27-19-13-9-10-15(2)16(19)3/h6-13,17H,5,14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide has a molecular weight of 369.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide is sourced from PubChem (CID 55862167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).