(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C21H18N2O4 — CID 2426915

IUPAC(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C21H18N2O4/c24-20(12-15-8-5-7-14-6-1-2-9-16(14)15)22-23-21(25)19-13-26-17-10-3-4-11-18(17)27-19/h1-11,19H,12-13H2,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyBVXRELWMXLKTQS-LJQANCHMSA-N
MW362.39 g/mol
LogP2.37
Rot. Bonds3

About (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 2426915) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID2426915
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1
InChIInChI=1S/C21H18N2O4/c24-20(12-15-8-5-7-14-6-1-2-9-16(14)15)22-23-21(25)19-13-26-17-10-3-4-11-18(17)27-19/h1-11,19H,12-13H2,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyBVXRELWMXLKTQS-LJQANCHMSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.37
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

N'-[2-(1H-indol-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42905192
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
[2-[2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8982802
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18827903
(3R)-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7936928
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519
(3S)-N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26799774
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
N'-(3-phenoxypropanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 3619045
(3S)-N'-(2-cyclopentylsulfanylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 8763529
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672108

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 2426915) is (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is BVXRELWMXLKTQS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(12-15-8-5-7-14-6-1-2-9-16(14)15)22-23-21(25)19-13-26-17-10-3-4-11-18(17)27-19/h1-11,19H,12-13H2,(H,22,24)(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 362.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 2426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).