N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C19H31N3O3 — CID 32690272

IUPACN-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCCC1
InChIInChI=1S/C19H31N3O3/c23-16(20-15-9-4-2-1-3-5-10-15)11-8-14-22-17(24)19(21-18(22)25)12-6-7-13-19/h15H,1-14H2,(H,20,23)(H,21,25)
InChIKeySUZOOTXABJHSQT-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.86
Rot. Bonds5

About N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 32690272) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID32690272
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCCC1
InChIInChI=1S/C19H31N3O3/c23-16(20-15-9-4-2-1-3-5-10-15)11-8-14-22-17(24)19(21-18(22)25)12-6-7-13-19/h15H,1-14H2,(H,20,23)(H,21,25)
InChIKeySUZOOTXABJHSQT-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 32690272) is N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is SUZOOTXABJHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-16(20-15-9-4-2-1-3-5-10-15)11-8-14-22-17(24)19(21-18(22)25)12-6-7-13-19/h15H,1-14H2,(H,20,23)(H,21,25).
What are the key properties of N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 349.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 32690272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).