N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C20H22N2O6 — CID 9343683

IUPACN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O6/c1-3-25-15-5-7-16(8-6-15)28-13(2)19(23)21-22-20(24)14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyIANLCRXVBGUYBN-CYBMUJFWSA-N
MW386.40 g/mol
LogP2.09
Rot. Bonds6

About N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 9343683) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID9343683
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O6/c1-3-25-15-5-7-16(8-6-15)28-13(2)19(23)21-22-20(24)14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyIANLCRXVBGUYBN-CYBMUJFWSA-N
XLogP2.09
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1H-pyrazole-4-carbohydrazide
CID 24595255
7-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428469
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N-[2-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42924057
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
5-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide
CID 55343944

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 9343683) is N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is IANLCRXVBGUYBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-25-15-5-7-16(8-6-15)28-13(2)19(23)21-22-20(24)14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 386.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 9343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).