2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide

C17H22N4O2 — CID 71934971

IUPAC2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
SMILESCCCn1ccc2cc(NC(=O)CN3CCCNC3=O)ccc21
InChIInChI=1S/C17H22N4O2/c1-2-8-20-10-6-13-11-14(4-5-15(13)20)19-16(22)12-21-9-3-7-18-17(21)23/h4-6,10-11H,2-3,7-9,12H2,1H3,(H,18,23)(H,19,22)
InChIKeyGLCDOTWUGKHQKX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide

2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide (PubChem CID 71934971) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
PubChem CID71934971
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
SMILESCCCn1ccc2cc(NC(=O)CN3CCCNC3=O)ccc21
InChIInChI=1S/C17H22N4O2/c1-2-8-20-10-6-13-11-14(4-5-15(13)20)19-16(22)12-21-9-3-7-18-17(21)23/h4-6,10-11H,2-3,7-9,12H2,1H3,(H,18,23)(H,19,22)
InChIKeyGLCDOTWUGKHQKX-UHFFFAOYSA-N
XLogP2.41
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide (CID 71934971) is 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide is CCCn1ccc2cc(NC(=O)CN3CCCNC3=O)ccc21.
What is the InChIKey of 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide?
The InChIKey is GLCDOTWUGKHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-8-20-10-6-13-11-14(4-5-15(13)20)19-16(22)12-21-9-3-7-18-17(21)23/h4-6,10-11H,2-3,7-9,12H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide?
2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide is sourced from PubChem (CID 71934971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).