2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide

C21H28N4O3 — CID 5001522

About 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide

2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide (PubChem CID 5001522) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
• PubChem CID: 5001522
• Molecular Formula: C21H28N4O3
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.22
• IUPAC Name: 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
• SMILES: CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O
• InChI: InChI=1S/C21H28N4O3/c1-2-22-18(26)14-24-15-25(17-6-4-3-5-7-17)21(20(24)28)10-12-23(13-11-21)19(27)16-8-9-16/h3-7,16H,2,8-15H2,1H3,(H,22,26)
• InChIKey: XBBNXQPAIJEYHL-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide?

The IUPAC name of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide (CID 5001522) is 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide.

What is the SMILES notation for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide?

The canonical SMILES for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide is CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O.

What is the InChIKey of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide?

The InChIKey is XBBNXQPAIJEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-22-18(26)14-24-15-25(17-6-4-3-5-7-17)21(20(24)28)10-12-23(13-11-21)19(27)16-8-9-16/h3-7,16H,2,8-15H2,1H3,(H,22,26).

What are the key properties of 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide?

2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide has a molecular weight of 384.48 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide is sourced from PubChem (CID 5001522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).