(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

C26H33N3O4 — CID 26918447

About (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 26918447) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 26918447
• Molecular Formula: C26H33N3O4
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.25
• IUPAC Name: (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)CC2=O)cc1
• InChI: InChI=1S/C26H33N3O4/c1-3-19-4-8-22(9-5-19)29-18-21(16-25(29)30)26(31)27-17-24(28-12-14-33-15-13-28)20-6-10-23(32-2)11-7-20/h4-11,21,24H,3,12-18H2,1-2H3,(H,27,31)/t21-,24-/m1/s1
• InChIKey: CXKIIGUFOSOLEW-ZJSXRUAMSA-N
• XLogP: 2.80
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 26918447) is (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)CC2=O)cc1.

What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is CXKIIGUFOSOLEW-ZJSXRUAMSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-3-19-4-8-22(9-5-19)29-18-21(16-25(29)30)26(31)27-17-24(28-12-14-33-15-13-28)20-6-10-23(32-2)11-7-20/h4-11,21,24H,3,12-18H2,1-2H3,(H,27,31)/t21-,24-/m1/s1.

What are the key properties of (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide?

(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26918447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).