N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide

C20H23N5O3 — CID 51155324

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide
SMILESCCn1nnc2cc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)ccc21
InChIInChI=1S/C20H23N5O3/c1-5-25-17-10-9-15(11-16(17)21-24-25)20(27)23-22-19(26)14(4)28-18-8-6-7-12(2)13(18)3/h6-11,14H,5H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyPABNBHWCWLTVDU-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.30
Rot. Bonds5

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide (PubChem CID 51155324) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide
PubChem CID51155324
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide
SMILESCCn1nnc2cc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)ccc21
InChIInChI=1S/C20H23N5O3/c1-5-25-17-10-9-15(11-16(17)21-24-25)20(27)23-22-19(26)14(4)28-18-8-6-7-12(2)13(18)3/h6-11,14H,5H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyPABNBHWCWLTVDU-UHFFFAOYSA-N
XLogP2.30
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbohydrazide
CID 51951969
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 43058759
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
ethyl 1-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 46403422
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
CID 9088832
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 7805997
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide (CID 51155324) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide is CCn1nnc2cc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)ccc21.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide?
The InChIKey is PABNBHWCWLTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-5-25-17-10-9-15(11-16(17)21-24-25)20(27)23-22-19(26)14(4)28-18-8-6-7-12(2)13(18)3/h6-11,14H,5H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide has a molecular weight of 381.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-1-ethylbenzotriazole-5-carbohydrazide is sourced from PubChem (CID 51155324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).