N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H31N3O4 — CID 99795462

About N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 99795462) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• PubChem CID: 99795462
• Molecular Formula: C23H31N3O4
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.23
• IUPAC Name: N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• SMILES: O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCC2(CCCCC2)O1
• InChI: InChI=1S/C23H31N3O4/c27-20(24-15-19-10-13-23(30-19)11-2-1-3-12-23)16-25-22(29)17-6-8-18(9-7-17)26-14-4-5-21(26)28/h6-9,19H,1-5,10-16H2,(H,24,27)(H,25,29)/t19-/m0/s1
• InChIKey: DXYDBUZNWISHHY-IBGZPJMESA-N
• XLogP: 2.54
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The IUPAC name of N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 99795462) is N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

What is the SMILES notation for N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The canonical SMILES for N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCC2(CCCCC2)O1.

What is the InChIKey of N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

The InChIKey is DXYDBUZNWISHHY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O4/c27-20(24-15-19-10-13-23(30-19)11-2-1-3-12-23)16-25-22(29)17-6-8-18(9-7-17)26-14-4-5-21(26)28/h6-9,19H,1-5,10-16H2,(H,24,27)(H,25,29)/t19-/m0/s1.

What are the key properties of N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?

N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 99795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).