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

C14H16N2O3 — CID 3698854

IUPACN-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-2-3-8-15-14(19)12(17)11-9-6-4-5-7-10(9)16-13(11)18/h4-7,11H,2-3,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyTWBPXQJGBAHJNH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.21
Rot. Bonds5

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

N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 3698854) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID3698854
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-2-3-8-15-14(19)12(17)11-9-6-4-5-7-10(9)16-13(11)18/h4-7,11H,2-3,8H2,1H3,(H,15,19)(H,16,18)
InChIKeyTWBPXQJGBAHJNH-UHFFFAOYSA-N
XLogP1.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2323488
N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
N-(4-chlorophenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2272538
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2311274
N-butyl-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 21414275
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
CID 2323494
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-(2-oxo-1,3-dihydroindol-3-yl)-N-propan-2-ylpentanamide
CID 132579110

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 3698854) is N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is CCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21.
What is the InChIKey of N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is TWBPXQJGBAHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-8-15-14(19)12(17)11-9-6-4-5-7-10(9)16-13(11)18/h4-7,11H,2-3,8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 3698854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).