2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

C17H23N3O2 — CID 3632449

IUPAC2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCn1cc(CC(=O)NCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-19-13-14(15-4-2-3-5-16(15)19)12-17(21)18-6-7-20-8-10-22-11-9-20/h2-5,13H,6-12H2,1H3,(H,18,21)
InChIKeyPEXRCWHIPZNXAH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 3632449) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID3632449
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCn1cc(CC(=O)NCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-19-13-14(15-4-2-3-5-16(15)19)12-17(21)18-6-7-20-8-10-22-11-9-20/h2-5,13H,6-12H2,1H3,(H,18,21)
InChIKeyPEXRCWHIPZNXAH-UHFFFAOYSA-N
XLogP1.17
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 3632449) is 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cn1cc(CC(=O)NCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is PEXRCWHIPZNXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-13-14(15-4-2-3-5-16(15)19)12-17(21)18-6-7-20-8-10-22-11-9-20/h2-5,13H,6-12H2,1H3,(H,18,21).
What are the key properties of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 3632449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).