2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide

C16H20N2O3 — CID 2215251

IUPAC2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12(19)14-10-18(15-7-4-3-6-13(14)15)11-16(20)17-8-5-9-21-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyKYMDXLRZDSECFE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide

2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 2215251) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID2215251
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-12(19)14-10-18(15-7-4-3-6-13(14)15)11-16(20)17-8-5-9-21-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyKYMDXLRZDSECFE-UHFFFAOYSA-N
XLogP2.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.00
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 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide (CID 2215251) is 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is KYMDXLRZDSECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)14-10-18(15-7-4-3-6-13(14)15)11-16(20)17-8-5-9-21-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2215251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).