2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide

C21H26N2O4 — CID 45354022

IUPAC2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C21H26N2O4/c1-13-9-10-19(26-5)17(11-13)12-20(24)22-23-21(25)16(4)27-18-8-6-7-14(2)15(18)3/h6-11,16H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyTWASIHRAISRTFB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.78
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide

2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide (PubChem CID 45354022) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
PubChem CID45354022
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
SMILESCOc1ccc(C)cc1CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C21H26N2O4/c1-13-9-10-19(26-5)17(11-13)12-20(24)22-23-21(25)16(4)27-18-8-6-7-14(2)15(18)3/h6-11,16H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyTWASIHRAISRTFB-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.78
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-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 8880338
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843598
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide (CID 45354022) is 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide is COc1ccc(C)cc1CC(=O)NNC(=O)C(C)Oc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide?
The InChIKey is TWASIHRAISRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-9-10-19(26-5)17(11-13)12-20(24)22-23-21(25)16(4)27-18-8-6-7-14(2)15(18)3/h6-11,16H,12H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 2.78, 6 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-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 45354022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).