2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide

C28H32N4O5 — CID 135203926

About 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide

2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide (PubChem CID 135203926) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide
• PubChem CID: 135203926
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide
• SMILES: CC(N)C(=O)Nc1ccc2c(c1)CC(=O)C21OCN(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
• InChI: InChI=1S/C28H32N4O5/c1-17(29)26(35)30-22-10-11-23-21(12-22)13-24(33)28(23)27(36)31(16-37-28)15-25(34)32(18(2)20-8-9-20)14-19-6-4-3-5-7-19/h3-7,10-12,17-18,20H,8-9,13-16,29H2,1-2H3,(H,30,35)
• InChIKey: YGJLCZWVJVRXGQ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide?

The IUPAC name of 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide (CID 135203926) is 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide.

What is the SMILES notation for 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide?

The canonical SMILES for 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide is CC(N)C(=O)Nc1ccc2c(c1)CC(=O)C21OCN(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O.

What is the InChIKey of 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide?

The InChIKey is YGJLCZWVJVRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-17(29)26(35)30-22-10-11-23-21(12-22)13-24(33)28(23)27(36)31(16-37-28)15-25(34)32(18(2)20-8-9-20)14-19-6-4-3-5-7-19/h3-7,10-12,17-18,20H,8-9,13-16,29H2,1-2H3,(H,30,35).

What are the key properties of 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide?

2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide has a molecular weight of 504.59 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]propanamide is sourced from PubChem (CID 135203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).