N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide

C23H30N4O4 — CID 46565904

About N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 46565904) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
• PubChem CID: 46565904
• Molecular Formula: C23H30N4O4
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.23
• IUPAC Name: N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
• SMILES: CC1CCCCC12NC(=O)N(CC(=O)N(C)Cc1ccc(C(=O)NC3CC3)cc1)C2=O
• InChI: InChI=1S/C23H30N4O4/c1-15-5-3-4-12-23(15)21(30)27(22(31)25-23)14-19(28)26(2)13-16-6-8-17(9-7-16)20(29)24-18-10-11-18/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,24,29)(H,25,31)
• InChIKey: AYEDRILPILJBDX-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

The IUPAC name of N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide (CID 46565904) is N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide is CC1CCCCC12NC(=O)N(CC(=O)N(C)Cc1ccc(C(=O)NC3CC3)cc1)C2=O.

What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

The InChIKey is AYEDRILPILJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-5-3-4-12-23(15)21(30)27(22(31)25-23)14-19(28)26(2)13-16-6-8-17(9-7-16)20(29)24-18-10-11-18/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,24,29)(H,25,31).

What are the key properties of N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46565904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).