2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one

C84H106N6O9 — CID 158355380

IUPAC2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.CCc1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.Cc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(C)C)cc2)c1.Cc1noc(C)c1-c1cc(O)cc(CN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3.C21H23NO3.C20H28N2O2.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;1-12(2)15-5-7-16(8-6-15)21(24)18-9-17(10-19(23)11-18)20-13(3)22-25-14(20)4;1-13(2)17-5-7-22(8-6-17)12-16-9-18(11-19(23)10-16)20-14(3)21-24-15(20)4;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;5-12,21,23-24H,1-4H3;9-11,13,17,23H,5-8,12H2,1-4H3;8-12,14H,4-7,13H2,1-3H3
InChIKeyGSURDGQWBRTGJG-UHFFFAOYSA-N
MW1343.80 g/mol
LogP18.04
Rot. Bonds19

About 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one

2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 158355380) has the molecular formula C84H106N6O9 and a molecular weight of 1343.80 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one
PubChem CID158355380
Molecular FormulaC84H106N6O9
Molecular Weight1343.80 g/mol
Exact Mass1342.80
IUPAC Name2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one
SMILESCC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.CCc1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.Cc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(C)C)cc2)c1.Cc1noc(C)c1-c1cc(O)cc(CN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3.C21H23NO3.C20H28N2O2.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;1-12(2)15-5-7-16(8-6-15)21(24)18-9-17(10-19(23)11-18)20-13(3)22-25-14(20)4;1-13(2)17-5-7-22(8-6-17)12-16-9-18(11-19(23)10-16)20-14(3)21-24-15(20)4;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;5-12,21,23-24H,1-4H3;9-11,13,17,23H,5-8,12H2,1-4H3;8-12,14H,4-7,13H2,1-3H3
InChIKeyGSURDGQWBRTGJG-UHFFFAOYSA-N
XLogP18.04
TPSA189.53 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.80
LogP ≤ 518.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one with MolForge

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Related Compounds

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

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;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one (CID 158355380) is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one is CC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.CCc1cc2c(n1Cc1ccc(C(C)C)cc1)CCCC2=O.Cc1noc(C)c1-c1cc(O)cc(C(O)c2ccc(C(C)C)cc2)c1.Cc1noc(C)c1-c1cc(O)cc(CN2CCC(C(C)C)CC2)c1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is GSURDGQWBRTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.C21H23NO3.C20H28N2O2.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;1-12(2)15-5-7-16(8-6-15)21(24)18-9-17(10-19(23)11-18)20-13(3)22-25-14(20)4;1-13(2)17-5-7-22(8-6-17)12-16-9-18(11-19(23)10-16)20-14(3)21-24-15(20)4;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;5-12,21,23-24H,1-4H3;9-11,13,17,23H,5-8,12H2,1-4H3;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;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one?
2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1343.80 g/mol, XLogP of 18.04, 19 rotatable bonds, 3 hydrogen bond donors, and 15 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;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy-(4-propan-2-ylphenyl)methyl]phenol;3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol;2-ethyl-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 158355380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).