(2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide

C25H28N4O5 — CID 58290286

About (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide

(2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide (PubChem CID 58290286) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide.

Molecular Properties

• Compound Name: (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide
• PubChem CID: 58290286
• Molecular Formula: C25H28N4O5
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.21
• IUPAC Name: (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide
• SMILES: [C-]#[N+]c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(CC(=O)N(C)C)c3)C2=O)cc1CC
• InChI: InChI=1S/C25H28N4O5/c1-5-17-15-18(9-10-20(17)26-2)27-24(32)22(31)23-25(33)29(11-12-34-23)19-8-6-7-16(13-19)14-21(30)28(3)4/h6-10,13,15,22-23,31H,5,11-12,14H2,1,3-4H3,(H,27,32)/t22-,23-/m1/s1
• InChIKey: BZIJTYJEXKKDQO-DHIUTWEWSA-N
• XLogP: 2.16
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide?

The IUPAC name of (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide (CID 58290286) is (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide.

What is the SMILES notation for (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide?

The canonical SMILES for (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide is [C-]#[N+]c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(CC(=O)N(C)C)c3)C2=O)cc1CC.

What is the InChIKey of (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide?

The InChIKey is BZIJTYJEXKKDQO-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-5-17-15-18(9-10-20(17)26-2)27-24(32)22(31)23-25(33)29(11-12-34-23)19-8-6-7-16(13-19)14-21(30)28(3)4/h6-10,13,15,22-23,31H,5,11-12,14H2,1,3-4H3,(H,27,32)/t22-,23-/m1/s1.

What are the key properties of (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide?

(2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide has a molecular weight of 464.52 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R)-4-[3-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]-N-(3-ethyl-4-isocyanophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 58290286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).