2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide

C16H26N4O4 — CID 2998058

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H26N4O4/c1-11(2)6-9-17-14(23)18-12(21)10-20-13(22)16(19-15(20)24)7-4-3-5-8-16/h11H,3-10H2,1-2H3,(H,19,24)(H2,17,18,21,23)
InChIKeyCLEOBMFFEUDVOH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.11
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 2998058) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID2998058
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H26N4O4/c1-11(2)6-9-17-14(23)18-12(21)10-20-13(22)16(19-15(20)24)7-4-3-5-8-16/h11H,3-10H2,1-2H3,(H,19,24)(H2,17,18,21,23)
InChIKeyCLEOBMFFEUDVOH-UHFFFAOYSA-N
XLogP1.11
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide (CID 2998058) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is CLEOBMFFEUDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-11(2)6-9-17-14(23)18-12(21)10-20-13(22)16(19-15(20)24)7-4-3-5-8-16/h11H,3-10H2,1-2H3,(H,19,24)(H2,17,18,21,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 2998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).