N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C18H18N2O5 — CID 3619045

IUPACN'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(CCOc1ccccc1)NNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C18H18N2O5/c21-17(10-11-23-13-6-2-1-3-7-13)19-20-18(22)16-12-24-14-8-4-5-9-15(14)25-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyONGUYUNYIQGRKZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.44
Rot. Bonds5

About N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 3619045) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID3619045
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(CCOc1ccccc1)NNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C18H18N2O5/c21-17(10-11-23-13-6-2-1-3-7-13)19-20-18(22)16-12-24-14-8-4-5-9-15(14)25-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyONGUYUNYIQGRKZ-UHFFFAOYSA-N
XLogP1.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.44
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-(4-chlorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2788339
(3S)-N'-[2-(3-fluorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7719981
(3S)-N'-[2-(3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7728635
(3R)-N'-[2-(4-propanoylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7940711
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-phenoxypropanamide
CID 746117
(3S)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 1095625
(3S)-N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2409763
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8913979
potassium N-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamodithioate
CID 23710046
2-chloro-N-[3-[2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-3-oxopropyl]benzamide
CID 2127120
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 3619045) is N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is O=C(CCOc1ccccc1)NNC(=O)C1COc2ccccc2O1.
What is the InChIKey of N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is ONGUYUNYIQGRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-17(10-11-23-13-6-2-1-3-7-13)19-20-18(22)16-12-24-14-8-4-5-9-15(14)25-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 342.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 3619045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).