N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide

C15H20N2O4 — CID 103606736

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O4/c1-11(18)17-6-5-12-9-13(3-4-14(12)17)16-15(19)10-21-8-7-20-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyDNYFOYCKCNDXBI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.20
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103606736) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID103606736
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H20N2O4/c1-11(18)17-6-5-12-9-13(3-4-14(12)17)16-15(19)10-21-8-7-20-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyDNYFOYCKCNDXBI-UHFFFAOYSA-N
XLogP1.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide (CID 103606736) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is DNYFOYCKCNDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)17-6-5-12-9-13(3-4-14(12)17)16-15(19)10-21-8-7-20-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.20, 6 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-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103606736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).