N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide

C25H35N3O4 — CID 172664145

About N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide

N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide (PubChem CID 172664145) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide
• PubChem CID: 172664145
• Molecular Formula: C25H35N3O4
• Molecular Weight: 441.57 g/mol
• Exact Mass: 441.26
• IUPAC Name: N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide
• SMILES: CCCC(=O)Nc1ccc(CC(=O)N2CCC3(CC2)CC(CN2CCCC2)OC3=O)cc1
• InChI: InChI=1S/C25H35N3O4/c1-2-5-22(29)26-20-8-6-19(7-9-20)16-23(30)28-14-10-25(11-15-28)17-21(32-24(25)31)18-27-12-3-4-13-27/h6-9,21H,2-5,10-18H2,1H3,(H,26,29)
• InChIKey: GPHAZRUGNVKHIA-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.57
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide?

The IUPAC name of N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide (CID 172664145) is N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide.

What is the SMILES notation for N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide?

The canonical SMILES for N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CC(=O)N2CCC3(CC2)CC(CN2CCCC2)OC3=O)cc1.

What is the InChIKey of N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide?

The InChIKey is GPHAZRUGNVKHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-2-5-22(29)26-20-8-6-19(7-9-20)16-23(30)28-14-10-25(11-15-28)17-21(32-24(25)31)18-27-12-3-4-13-27/h6-9,21H,2-5,10-18H2,1H3,(H,26,29).

What are the key properties of N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide?

N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide has a molecular weight of 441.57 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]butanamide is sourced from PubChem (CID 172664145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).