2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

C18H22N2O3 — CID 648985

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-23-10-4-9-19-17(21)12-20-11-15(18(22)13-7-8-13)14-5-2-3-6-16(14)20/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,19,21)
InChIKeyXLXYRBAJDVPLEG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.39
Rot. Bonds8

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 648985) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID648985
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-23-10-4-9-19-17(21)12-20-11-15(18(22)13-7-8-13)14-5-2-3-6-16(14)20/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,19,21)
InChIKeyXLXYRBAJDVPLEG-UHFFFAOYSA-N
XLogP2.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.39
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-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide (CID 648985) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is XLXYRBAJDVPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-10-4-9-19-17(21)12-20-11-15(18(22)13-7-8-13)14-5-2-3-6-16(14)20/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,19,21).
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 648985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).