N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C24H22N2O3 — CID 3535073

IUPACN'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC=C(NNC(=O)C1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-20(19-14-12-18(13-15-19)17-8-4-3-5-9-17)25-26-24(27)23-16-28-21-10-6-7-11-22(21)29-23/h2-15,23,25H,16H2,1H3,(H,26,27)
InChIKeySUXLCGIBFZYXOL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.18
Rot. Bonds5

About N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 3535073) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID3535073
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESCC=C(NNC(=O)C1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-20(19-14-12-18(13-15-19)17-8-4-3-5-9-17)25-26-24(27)23-16-28-21-10-6-7-11-22(21)29-23/h2-15,23,25H,16H2,1H3,(H,26,27)
InChIKeySUXLCGIBFZYXOL-UHFFFAOYSA-N
XLogP4.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.18
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

(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
N'-(4-ethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42889119
N'-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42888339
potassium N-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamodithioate
CID 23710046
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519
N'-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 3143898
N'-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 78803520
(3S)-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1084125
(3S)-N'-[1-(4-cyanophenyl)ethenyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2593408
N'-(2-cyclohexylideneacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60574660
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 3535073) is N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is CC=C(NNC(=O)C1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is SUXLCGIBFZYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-20(19-14-12-18(13-15-19)17-8-4-3-5-9-17)25-26-24(27)23-16-28-21-10-6-7-11-22(21)29-23/h2-15,23,25H,16H2,1H3,(H,26,27).
What are the key properties of N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 386.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-phenylphenyl)prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 3535073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).