N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H29N3O3 — CID 4192869

IUPACN-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCCC1C)C2=O
InChIInChI=1S/C18H29N3O3/c1-12-7-9-18(10-8-12)16(23)21(17(24)20-18)11-15(22)19-14-6-4-3-5-13(14)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyVHXMPMLSVBXSPQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.18
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 4192869) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID4192869
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCCC1C)C2=O
InChIInChI=1S/C18H29N3O3/c1-12-7-9-18(10-8-12)16(23)21(17(24)20-18)11-15(22)19-14-6-4-3-5-13(14)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyVHXMPMLSVBXSPQ-UHFFFAOYSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.18
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-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 4192869) is N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCCC1C)C2=O.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VHXMPMLSVBXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-7-9-18(10-8-12)16(23)21(17(24)20-18)11-15(22)19-14-6-4-3-5-13(14)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 4192869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).