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

C25H32N4O4 — CID 33343002

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

N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 33343002) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
• PubChem CID: 33343002
• Molecular Formula: C25H32N4O4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.24
• IUPAC Name: N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
• SMILES: CN1C(=O)N(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C(=O)C12CCCCC2
• InChI: InChI=1S/C25H32N4O4/c1-27-24(33)29(23(32)25(27)13-3-2-4-14-25)16-21(30)28(20-11-12-20)15-17-5-7-18(8-6-17)22(31)26-19-9-10-19/h5-8,19-20H,2-4,9-16H2,1H3,(H,26,31)
• InChIKey: CRCWNTIZZOTFEG-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
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-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide (CID 33343002) is N-cyclopropyl-4-[[cyclopropyl-[2-(1-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-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide is CN1C(=O)N(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C(=O)C12CCCCC2.

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

The InChIKey is CRCWNTIZZOTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-27-24(33)29(23(32)25(27)13-3-2-4-14-25)16-21(30)28(20-11-12-20)15-17-5-7-18(8-6-17)22(31)26-19-9-10-19/h5-8,19-20H,2-4,9-16H2,1H3,(H,26,31).

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

N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 33343002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).