N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide

C20H24N2O5 — CID 8640532

IUPACN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1
InChIInChI=1S/C20H24N2O5/c1-12-7-6-8-17(13(12)2)27-14(3)19(23)21-22-20(24)16-11-15(25-4)9-10-18(16)26-5/h6-11,14H,1-5H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyXZZIXQYTMSTWHR-AWEZNQCLSA-N
MW372.42 g/mol
LogP2.55
Rot. Bonds6

About N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide

N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide (PubChem CID 8640532) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
PubChem CID8640532
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1
InChIInChI=1S/C20H24N2O5/c1-12-7-6-8-17(13(12)2)27-14(3)19(23)21-22-20(24)16-11-15(25-4)9-10-18(16)26-5/h6-11,14H,1-5H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyXZZIXQYTMSTWHR-AWEZNQCLSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-5-methylbenzohydrazide
CID 60589345
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
CID 45354022
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
CID 9088832

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide (CID 8640532) is N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide is COc1ccc(OC)c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1.
What is the InChIKey of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide?
The InChIKey is XZZIXQYTMSTWHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-7-6-8-17(13(12)2)27-14(3)19(23)21-22-20(24)16-11-15(25-4)9-10-18(16)26-5/h6-11,14H,1-5H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide?
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide has a molecular weight of 372.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide is sourced from PubChem (CID 8640532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).