N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H28N3O3+ — CID 7780251

About N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 7780251) has the molecular formula C24H28N3O3+ and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• PubChem CID: 7780251
• Molecular Formula: C24H28N3O3+
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.21
• IUPAC Name: N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• SMILES: O=C(CNC(=O)Cc1cccc2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCC1
• InChI: InChI=1S/C24H27N3O3/c28-23(15-19-9-5-8-18-7-1-2-10-20(18)19)26-17-24(29)25-16-21(22-11-6-14-30-22)27-12-3-4-13-27/h1-2,5-11,14,21H,3-4,12-13,15-17H2,(H,25,29)(H,26,28)/p+1/t21-/m0/s1
• InChIKey: JHEGBROWHCJJJN-NRFANRHFSA-O
• XLogP: 1.63
• TPSA: 75.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 7780251) is N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCC1.

What is the InChIKey of N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The InChIKey is JHEGBROWHCJJJN-NRFANRHFSA-O. The full InChI is InChI=1S/C24H27N3O3/c28-23(15-19-9-5-8-18-7-1-2-10-20(18)19)26-17-24(29)25-16-21(22-11-6-14-30-22)27-12-3-4-13-27/h1-2,5-11,14,21H,3-4,12-13,15-17H2,(H,25,29)(H,26,28)/p+1/t21-/m0/s1.

What are the key properties of N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 406.51 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 7780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).