N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide

C33H42N4O5 — CID 135204069

About N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide

N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide (PubChem CID 135204069) has the molecular formula C33H42N4O5 and a molecular weight of 574.72 g/mol. Its IUPAC name is N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide
• PubChem CID: 135204069
• Molecular Formula: C33H42N4O5
• Molecular Weight: 574.72 g/mol
• Exact Mass: 574.32
• IUPAC Name: N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide
• SMILES: CCN(CC)C(C)(C)C(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
• InChI: InChI=1S/C33H42N4O5/c1-6-35(7-2)32(4,5)29(39)34-26-15-16-27-25(19-26)17-18-33(27)30(40)37(31(41)42-33)21-28(38)36(22(3)24-13-14-24)20-23-11-9-8-10-12-23/h8-12,15-16,19,22,24H,6-7,13-14,17-18,20-21H2,1-5H3,(H,34,39)
• InChIKey: IRWYRXCVJKZMBH-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.72
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide (CID 135204069) is N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide.

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

The canonical SMILES for N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide is CCN(CC)C(C)(C)C(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O.

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

The InChIKey is IRWYRXCVJKZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O5/c1-6-35(7-2)32(4,5)29(39)34-26-15-16-27-25(19-26)17-18-33(27)30(40)37(31(41)42-33)21-28(38)36(22(3)24-13-14-24)20-23-11-9-8-10-12-23/h8-12,15-16,19,22,24H,6-7,13-14,17-18,20-21H2,1-5H3,(H,34,39).

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

N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide has a molecular weight of 574.72 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide is sourced from PubChem (CID 135204069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).