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

C19H18N2O3 — CID 53160256

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide
SMILESO=C(CCc1cccc2[nH]ccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c22-19(7-4-13-2-1-3-16-15(13)8-9-20-16)21-14-5-6-17-18(12-14)24-11-10-23-17/h1-3,5-6,8-9,12,20H,4,7,10-11H2,(H,21,22)
InChIKeyQQJURSKNTNLELY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.51
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide (PubChem CID 53160256) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide
PubChem CID53160256
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide
SMILESO=C(CCc1cccc2[nH]ccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c22-19(7-4-13-2-1-3-16-15(13)8-9-20-16)21-14-5-6-17-18(12-14)24-11-10-23-17/h1-3,5-6,8-9,12,20H,4,7,10-11H2,(H,21,22)
InChIKeyQQJURSKNTNLELY-UHFFFAOYSA-N
XLogP3.51
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide (CID 53160256) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide is O=C(CCc1cccc2[nH]ccc12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide?
The InChIKey is QQJURSKNTNLELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(7-4-13-2-1-3-16-15(13)8-9-20-16)21-14-5-6-17-18(12-14)24-11-10-23-17/h1-3,5-6,8-9,12,20H,4,7,10-11H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-4-yl)propanamide is sourced from PubChem (CID 53160256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).