N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H16N2O5 — CID 1301208

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N2O5/c22-17(20-12-5-6-15-16(11-12)26-10-9-25-15)7-8-21-18(23)13-3-1-2-4-14(13)19(21)24/h1-6,11H,7-10H2,(H,20,22)
InChIKeyJVAYDOYVLDLPAE-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.08
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1301208) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1301208
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N2O5/c22-17(20-12-5-6-15-16(11-12)26-10-9-25-15)7-8-21-18(23)13-3-1-2-4-14(13)19(21)24/h1-6,11H,7-10H2,(H,20,22)
InChIKeyJVAYDOYVLDLPAE-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Amphotalide
CID 71806
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
2-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 23640021
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 10047814
5-fluoro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 11305844
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
CeMMEC13
CID 110694558
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 10793720
2-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 164628184

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1301208) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is JVAYDOYVLDLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17(20-12-5-6-15-16(11-12)26-10-9-25-15)7-8-21-18(23)13-3-1-2-4-14(13)19(21)24/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 352.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1301208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).