2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

C21H26N2O4 — CID 55341964

IUPAC2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O4/c1-5-17-9-11-18(12-10-17)26-13-20(24)22-23-21(25)16(4)27-19-8-6-7-14(2)15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMZXLJRWNIRBSFW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.86
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (PubChem CID 55341964) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
PubChem CID55341964
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O4/c1-5-17-9-11-18(12-10-17)26-13-20(24)22-23-21(25)16(4)27-19-8-6-7-14(2)15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMZXLJRWNIRBSFW-UHFFFAOYSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (CID 55341964) is 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide is CCc1ccc(OCC(=O)NNC(=O)C(C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The InChIKey is MZXLJRWNIRBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-17-9-11-18(12-10-17)26-13-20(24)22-23-21(25)16(4)27-19-8-6-7-14(2)15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 2.86, 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-(4-ethylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 55341964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).