N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H23N3O3 — CID 5032741

IUPACN-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NCc1ccccc1)C2=O
InChIInChI=1S/C18H23N3O3/c1-13-7-5-6-10-18(13)16(23)21(17(24)20-18)12-15(22)19-11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyRNURKYPNQGCRKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds4

About N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 5032741) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID5032741
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)NCc1ccccc1)C2=O
InChIInChI=1S/C18H23N3O3/c1-13-7-5-6-10-18(13)16(23)21(17(24)20-18)12-15(22)19-11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyRNURKYPNQGCRKX-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.80
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-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 5032741) is N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCCCC12NC(=O)N(CC(=O)NCc1ccccc1)C2=O.
What is the InChIKey of N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is RNURKYPNQGCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-7-5-6-10-18(13)16(23)21(17(24)20-18)12-15(22)19-11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 5032741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).