tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

C75H85N7O16 — CID 159141514

About tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 159141514) has the molecular formula C75H85N7O16 and a molecular weight of 1340.54 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
• PubChem CID: 159141514
• Molecular Formula: C75H85N7O16
• Molecular Weight: 1340.54 g/mol
• Exact Mass: 1339.61
• IUPAC Name: tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1
• InChI: InChI=1S/C33H37N3O5.C16H20N2O4.C15H18N2O4.C11H10O3/c1-33(2,3)41-32(39)34-28-11-9-24(23-7-5-4-6-8-23)19-26(28)21-30(37)25-10-12-29-27(20-25)22-31(38)36(29)14-13-35-15-17-40-18-16-35;1-21-16(20)12-2-3-14-13(10-12)11-15(19)18(14)5-4-17-6-8-22-9-7-17;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,39);2-3,10H,4-9,11H2,1H3;1-2,9H,3-8,10H2,(H,19,20);2-4H,5-6H2,1H3
• InChIKey: KIDMNZMMRHLDAZ-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 260.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.54
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?

The IUPAC name of tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (CID 159141514) is tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.

What is the SMILES notation for tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?

The canonical SMILES for tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.

What is the InChIKey of tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?

The InChIKey is KIDMNZMMRHLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5.C16H20N2O4.C15H18N2O4.C11H10O3/c1-33(2,3)41-32(39)34-28-11-9-24(23-7-5-4-6-8-23)19-26(28)21-30(37)25-10-12-29-27(20-25)22-31(38)36(29)14-13-35-15-17-40-18-16-35;1-21-16(20)12-2-3-14-13(10-12)11-15(19)18(14)5-4-17-6-8-22-9-7-17;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-12,19-20H,13-18,21-22H2,1-3H3,(H,34,39);2-3,10H,4-9,11H2,1H3;1-2,9H,3-8,10H2,(H,19,20);2-4H,5-6H2,1H3.

What are the key properties of tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?

tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 1340.54 g/mol, XLogP of 7.79, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 159141514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).