3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide

C22H28N4O3 — CID 49498521

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
SMILESCCCn1ccc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc21
InChIInChI=1S/C22H28N4O3/c1-2-12-25-13-8-16-15-17(6-7-18(16)25)23-19(27)9-14-26-20(28)22(24-21(26)29)10-4-3-5-11-22/h6-8,13,15H,2-5,9-12,14H2,1H3,(H,23,27)(H,24,29)
InChIKeyLFLGBRWTOJHYEX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.63
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide (PubChem CID 49498521) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
PubChem CID49498521
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
SMILESCCCn1ccc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc21
InChIInChI=1S/C22H28N4O3/c1-2-12-25-13-8-16-15-17(6-7-18(16)25)23-19(27)9-14-26-20(28)22(24-21(26)29)10-4-3-5-11-22/h6-8,13,15H,2-5,9-12,14H2,1H3,(H,23,27)(H,24,29)
InChIKeyLFLGBRWTOJHYEX-UHFFFAOYSA-N
XLogP3.63
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
2-(2-oxo-1,3-diazinan-1-yl)-N-(1-propylindol-5-yl)acetamide
CID 71934971
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
CID 17446914
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 46646435
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 9467840
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 49499379
4-(methoxymethyl)-N-(1-propylindol-5-yl)piperidine-4-carboxamide
CID 120645454
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 18192866

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide (CID 49498521) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide is CCCn1ccc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc21.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide?
The InChIKey is LFLGBRWTOJHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-12-25-13-8-16-15-17(6-7-18(16)25)23-19(27)9-14-26-20(28)22(24-21(26)29)10-4-3-5-11-22/h6-8,13,15H,2-5,9-12,14H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide is sourced from PubChem (CID 49498521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).