N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide

C29H34N4O4 — CID 118958463

About N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide (PubChem CID 118958463) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
• PubChem CID: 118958463
• Molecular Formula: C29H34N4O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.26
• IUPAC Name: N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
• SMILES: CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(N4CCNCC4)ccc32)C1=O
• InChI: InChI=1S/C29H34N4O4/c1-20(22-7-8-22)32(18-21-5-3-2-4-6-21)26(34)19-33-27(35)29(37-28(33)36)12-11-23-17-24(9-10-25(23)29)31-15-13-30-14-16-31/h2-6,9-10,17,20,22,30H,7-8,11-16,18-19H2,1H3
• InChIKey: PKRHZIGIGQIJRN-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?

The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide (CID 118958463) is N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide.

What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?

The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(N4CCNCC4)ccc32)C1=O.

What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?

The InChIKey is PKRHZIGIGQIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-20(22-7-8-22)32(18-21-5-3-2-4-6-21)26(34)19-33-27(35)29(37-28(33)36)12-11-23-17-24(9-10-25(23)29)31-15-13-30-14-16-31/h2-6,9-10,17,20,22,30H,7-8,11-16,18-19H2,1H3.

What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?

N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide has a molecular weight of 502.62 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide is sourced from PubChem (CID 118958463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).