tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one

C93H97F3N8O15 — CID 161382567

About tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one

tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one (PubChem CID 161382567) has the molecular formula C93H97F3N8O15 and a molecular weight of 1623.83 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one
• PubChem CID: 161382567
• Molecular Formula: C93H97F3N8O15
• Molecular Weight: 1623.83 g/mol
• Exact Mass: 1622.70
• IUPAC Name: tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one
• SMILES: CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COc1ccc2c(c1)NC(=O)C2)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COc1ccc2cc[nH]c2c1)c1ccccc1.O=C1Cc2ccc(OC[C@H](CC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)c3ccccc3)cc2N1.Oc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C30H23F3N2O4.C21H24N2O4.C21H24N2O3.C13H19NO3.C8H7NO/c31-24-11-18(12-25(32)29(24)33)16-35-10-4-7-23(30(35)38)27(36)13-21(19-5-2-1-3-6-19)17-39-22-9-8-20-14-28(37)34-26(20)15-22;1-21(2,3)27-20(25)23-18(14-7-5-4-6-8-14)13-26-16-10-9-15-11-19(24)22-17(15)12-16;1-21(2,3)26-20(24)23-19(15-7-5-4-6-8-15)14-25-17-10-9-16-11-12-22-18(16)13-17;1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10;10-7-2-1-6-3-4-9-8(6)5-7/h1-12,15,21H,13-14,16-17H2,(H,34,37);4-10,12,18H,11,13H2,1-3H3,(H,22,24)(H,23,25);4-13,19,22H,14H2,1-3H3,(H,23,24);4-8,11,15H,9H2,1-3H3,(H,14,16);1-5,9-10H/t21-;18-;19-;11-;/m0000./s1
• InChIKey: VRXHTDKSVSSEGY-DQBXDOEGSA-N
• XLogP: 18.00
• TPSA: 311.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1623.83
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one?

The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one (CID 161382567) is tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one.

What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one?

The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one is CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COc1ccc2c(c1)NC(=O)C2)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COc1ccc2cc[nH]c2c1)c1ccccc1.O=C1Cc2ccc(OC[C@H](CC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)c3ccccc3)cc2N1.Oc1ccc2cc[nH]c2c1.

What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one?

The InChIKey is VRXHTDKSVSSEGY-DQBXDOEGSA-N. The full InChI is InChI=1S/C30H23F3N2O4.C21H24N2O4.C21H24N2O3.C13H19NO3.C8H7NO/c31-24-11-18(12-25(32)29(24)33)16-35-10-4-7-23(30(35)38)27(36)13-21(19-5-2-1-3-6-19)17-39-22-9-8-20-14-28(37)34-26(20)15-22;1-21(2,3)27-20(25)23-18(14-7-5-4-6-8-14)13-26-16-10-9-15-11-19(24)22-17(15)12-16;1-21(2,3)26-20(24)23-19(15-7-5-4-6-8-15)14-25-17-10-9-16-11-12-22-18(16)13-17;1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10;10-7-2-1-6-3-4-9-8(6)5-7/h1-12,15,21H,13-14,16-17H2,(H,34,37);4-10,12,18H,11,13H2,1-3H3,(H,22,24)(H,23,25);4-13,19,22H,14H2,1-3H3,(H,23,24);4-8,11,15H,9H2,1-3H3,(H,14,16);1-5,9-10H/t21-;18-;19-;11-;/m0000./s1.

What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one?

tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one has a molecular weight of 1623.83 g/mol, XLogP of 18.00, 22 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 161382567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).