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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Related Compounds

N-(1-methylindol-6-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
CID 136526633
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
CID 49498521
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
4-(methoxymethyl)-N-(1-propylindol-5-yl)piperidine-4-carboxamide
CID 120645454
N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
CID 111435497
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 49498023
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400

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).