(2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

C27H30N4O6 — CID 58290301

About (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

(2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 58290301) has the molecular formula C27H30N4O6 and a molecular weight of 506.56 g/mol. Its IUPAC name is (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
• PubChem CID: 58290301
• Molecular Formula: C27H30N4O6
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.22
• IUPAC Name: (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
• SMILES: [C-]#[N+]c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cc(C)cc(C(=O)N4CCOCC4)c3)C2=O)cc1CC
• InChI: InChI=1S/C27H30N4O6/c1-4-18-15-20(5-6-22(18)28-3)29-25(33)23(32)24-27(35)31(9-12-37-24)21-14-17(2)13-19(16-21)26(34)30-7-10-36-11-8-30/h5-6,13-16,23-24,32H,4,7-12H2,1-2H3,(H,29,33)/t23-,24-/m1/s1
• InChIKey: OCPRHAKGBIAXNG-DNQXCXABSA-N
• XLogP: 2.31
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?

The IUPAC name of (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide (CID 58290301) is (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide.

What is the SMILES notation for (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?

The canonical SMILES for (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide is [C-]#[N+]c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cc(C)cc(C(=O)N4CCOCC4)c3)C2=O)cc1CC.

What is the InChIKey of (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?

The InChIKey is OCPRHAKGBIAXNG-DNQXCXABSA-N. The full InChI is InChI=1S/C27H30N4O6/c1-4-18-15-20(5-6-22(18)28-3)29-25(33)23(32)24-27(35)31(9-12-37-24)21-14-17(2)13-19(16-21)26(34)30-7-10-36-11-8-30/h5-6,13-16,23-24,32H,4,7-12H2,1-2H3,(H,29,33)/t23-,24-/m1/s1.

What are the key properties of (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?

(2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 506.56 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 58290301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).