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

C14H17N3O3 — CID 110694642

IUPACN-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCC(=O)NCCNC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-9(18)15-6-7-16-13(19)8-11-10-4-2-3-5-12(10)17-14(11)20/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHXFIXOGSRSCCMW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.36
Rot. Bonds5

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

N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 110694642) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID110694642
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCC(=O)NCCNC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-9(18)15-6-7-16-13(19)8-11-10-4-2-3-5-12(10)17-14(11)20/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHXFIXOGSRSCCMW-UHFFFAOYSA-N
XLogP0.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-(2-naphthalen-1-ylethyl)-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 52536360
N-[(4-fluorophenyl)methyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694604
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98432230
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694584
N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
CID 177414961
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111697545
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111441433
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 110694642) is N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is CC(=O)NCCNC(=O)CC1C(=O)Nc2ccccc21.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is HXFIXOGSRSCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(18)15-6-7-16-13(19)8-11-10-4-2-3-5-12(10)17-14(11)20/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 110694642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).