N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C14H16N2O4 — CID 4682683

IUPACN-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCOCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O4/c1-20-8-4-7-15-14(19)12(17)11-9-5-2-3-6-10(9)16-13(11)18/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyFASVQPQIVXUOIJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.44
Rot. Bonds6

About N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 4682683) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID4682683
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCOCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O4/c1-20-8-4-7-15-14(19)12(17)11-9-5-2-3-6-10(9)16-13(11)18/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyFASVQPQIVXUOIJ-UHFFFAOYSA-N
XLogP0.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 4682683) is N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is COCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21.
What is the InChIKey of N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is FASVQPQIVXUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-8-4-7-15-14(19)12(17)11-9-5-2-3-6-10(9)16-13(11)18/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 276.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 4682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).