N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide

C20H26ClN3O4 — CID 172674247

About N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide

N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide (PubChem CID 172674247) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide
• PubChem CID: 172674247
• Molecular Formula: C20H26ClN3O4
• Molecular Weight: 407.90 g/mol
• Exact Mass: 407.16
• IUPAC Name: N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(CN(C)C)OC3=O)c1
• InChI: InChI=1S/C20H26ClN3O4/c1-13(25)22-14-4-5-17(21)16(10-14)18(26)24-8-6-20(7-9-24)11-15(12-23(2)3)28-19(20)27/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,25)
• InChIKey: YQUMIZKUBXIQCH-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.90
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide?

The IUPAC name of N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide (CID 172674247) is N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(CN(C)C)OC3=O)c1.

What is the InChIKey of N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide?

The InChIKey is YQUMIZKUBXIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c1-13(25)22-14-4-5-17(21)16(10-14)18(26)24-8-6-20(7-9-24)11-15(12-23(2)3)28-19(20)27/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,25).

What are the key properties of N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide?

N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide has a molecular weight of 407.90 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]phenyl]acetamide is sourced from PubChem (CID 172674247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).