2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C27H39N3O3 — CID 25227151

About 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 25227151) has the molecular formula C27H39N3O3 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 25227151
• Molecular Formula: C27H39N3O3
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.30
• IUPAC Name: 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(C2CCCC2)C2(CCCCC2)C1=O
• InChI: InChI=1S/C27H39N3O3/c1-18(2)21-13-10-14-22(19(3)4)24(21)28-23(31)17-29-25(32)27(15-8-5-9-16-27)30(26(29)33)20-11-6-7-12-20/h10,13-14,18-20H,5-9,11-12,15-17H2,1-4H3,(H,28,31)
• InChIKey: QSSMHPVAXFQVQS-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 25227151) is 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(C2CCCC2)C2(CCCCC2)C1=O.

What is the InChIKey of 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is QSSMHPVAXFQVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O3/c1-18(2)21-13-10-14-22(19(3)4)24(21)28-23(31)17-29-25(32)27(15-8-5-9-16-27)30(26(29)33)20-11-6-7-12-20/h10,13-14,18-20H,5-9,11-12,15-17H2,1-4H3,(H,28,31).

What are the key properties of 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?

2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 453.63 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclopentyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 25227151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).