2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide

C28H43N5O3 — CID 130200592

About 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide (PubChem CID 130200592) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide
• PubChem CID: 130200592
• Molecular Formula: C28H43N5O3
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.34
• IUPAC Name: 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide
• SMILES: CNC(=O)C(C)(C)NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
• InChI: InChI=1S/C28H43N5O3/c1-26(2,24(35)29-3)30-23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,31(4)5)22-12-7-6-8-13-22/h6-8,12-13,21H,9-11,14-20H2,1-5H3,(H,29,35)(H,30,34)
• InChIKey: BKKHXEZUIQSCQZ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide?

The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide (CID 130200592) is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.

What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide?

The InChIKey is BKKHXEZUIQSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-26(2,24(35)29-3)30-23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,31(4)5)22-12-7-6-8-13-22/h6-8,12-13,21H,9-11,14-20H2,1-5H3,(H,29,35)(H,30,34).

What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide?

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide has a molecular weight of 497.68 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 130200592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).