2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate

C84H103N5O11 — CID 167706254

About 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate

2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate (PubChem CID 167706254) has the molecular formula C84H103N5O11 and a molecular weight of 1358.77 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate
• PubChem CID: 167706254
• Molecular Formula: C84H103N5O11
• Molecular Weight: 1358.77 g/mol
• Exact Mass: 1357.77
• IUPAC Name: 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate
• SMILES: CC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.CC(C)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1.CCc1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.COC(=O)c1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O
• InChI: InChI=1S/C23H30N2O3.C21H25NO4.C20H23NO3.C20H25NO/c1-16(2)18-10-8-17(9-11-18)15-25-20-6-5-7-22(26)19(20)14-21(25)23(27)28-13-12-24(3)4;1-14(2)16-8-6-15(7-9-16)13-22-18-4-3-5-20(24)17(18)12-19(22)21(25)26-11-10-23;1-13(2)15-9-7-14(8-10-15)12-21-17-5-4-6-19(22)16(17)11-18(21)20(23)24-3;1-4-17-12-18-19(6-5-7-20(18)22)21(17)13-15-8-10-16(11-9-15)14(2)3/h8-11,14,16H,5-7,12-13,15H2,1-4H3;6-9,12,14,23H,3-5,10-11,13H2,1-2H3;7-11,13H,4-6,12H2,1-3H3;8-12,14H,4-7,13H2,1-3H3
• InChIKey: ZDKNVNRJWKVCIG-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 190.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.77
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate (CID 167706254) is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate is CC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.CC(C)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1.CCc1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.COC(=O)c1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.

What is the InChIKey of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?

The InChIKey is ZDKNVNRJWKVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.C21H25NO4.C20H23NO3.C20H25NO/c1-16(2)18-10-8-17(9-11-18)15-25-20-6-5-7-22(26)19(20)14-21(25)23(27)28-13-12-24(3)4;1-14(2)16-8-6-15(7-9-16)13-22-18-4-3-5-20(24)17(18)12-19(22)21(25)26-11-10-23;1-13(2)15-9-7-14(8-10-15)12-21-17-5-4-6-19(22)16(17)11-18(21)20(23)24-3;1-4-17-12-18-19(6-5-7-20(18)22)21(17)13-15-8-10-16(11-9-15)14(2)3/h8-11,14,16H,5-7,12-13,15H2,1-4H3;6-9,12,14,23H,3-5,10-11,13H2,1-2H3;7-11,13H,4-6,12H2,1-3H3;8-12,14H,4-7,13H2,1-3H3.

What are the key properties of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?

2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate has a molecular weight of 1358.77 g/mol, XLogP of 15.93, 21 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one;2-hydroxyethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;methyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate is sourced from PubChem (CID 167706254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).