N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H16N2O4 — CID 39952143

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3=COCCO3)ccc21
InChIInChI=1S/C15H16N2O4/c1-10(18)17-5-4-11-8-12(2-3-13(11)17)16-15(19)14-9-20-6-7-21-14/h2-3,8-9H,4-7H2,1H3,(H,16,19)
InChIKeyNHYPJLBSNSJZCE-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.42
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 39952143) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID39952143
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3=COCCO3)ccc21
InChIInChI=1S/C15H16N2O4/c1-10(18)17-5-4-11-8-12(2-3-13(11)17)16-15(19)14-9-20-6-7-21-14/h2-3,8-9H,4-7H2,1H3,(H,16,19)
InChIKeyNHYPJLBSNSJZCE-UHFFFAOYSA-N
XLogP1.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
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1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2H-chromene-3-carboxamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 39952143) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3=COCCO3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NHYPJLBSNSJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(18)17-5-4-11-8-12(2-3-13(11)17)16-15(19)14-9-20-6-7-21-14/h2-3,8-9H,4-7H2,1H3,(H,16,19).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 39952143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).