1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride

C119H131ClN10O15 — CID 159992105

IUPAC1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride
SMILESCCO.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)NN)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)O)c(C(C)C)n2Cc1ccccc1.Cl.[H]/N=C(\OCC)c1ccccc1
InChIInChI=1S/C27H25N3O2.C21H23NO3.C20H23N3O2.2C20H21NO3.C9H11NO.C2H6O.ClH/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19;1-14(2)20-19(21(23)25-4)17-12-16(24-3)10-11-18(17)22(20)13-15-8-6-5-7-9-15;1-13(2)19-18(20(24)22-21)16-11-15(25-3)9-10-17(16)23(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(22)23)16-11-15(24-3)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(23)24-3)16-11-15(22)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-2-11-9(10)8-6-4-3-5-7-8;1-2-3;/h4-16,18H,17H2,1-3H3;5-12,14H,13H2,1-4H3;4-11,13H,12,21H2,1-3H3,(H,22,24);4-11,13H,12H2,1-3H3,(H,22,23);4-11,13,22H,12H2,1-3H3;3-7,10H,2H2,1H3;3H,2H2,1H3;1H/b;;;;;10-9-;;
InChIKeyRXQYFFPBXOQOAT-DVFQEHOJSA-N
MW1976.86 g/mol
LogP25.87
Rot. Bonds27

About 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride

1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride (PubChem CID 159992105) has the molecular formula C119H131ClN10O15 and a molecular weight of 1976.86 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride
PubChem CID159992105
Molecular FormulaC119H131ClN10O15
Molecular Weight1976.86 g/mol
Exact Mass1974.95
IUPAC Name1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride
SMILESCCO.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)NN)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)O)c(C(C)C)n2Cc1ccccc1.Cl.[H]/N=C(\OCC)c1ccccc1
InChIInChI=1S/C27H25N3O2.C21H23NO3.C20H23N3O2.2C20H21NO3.C9H11NO.C2H6O.ClH/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19;1-14(2)20-19(21(23)25-4)17-12-16(24-3)10-11-18(17)22(20)13-15-8-6-5-7-9-15;1-13(2)19-18(20(24)22-21)16-11-15(25-3)9-10-17(16)23(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(22)23)16-11-15(24-3)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(23)24-3)16-11-15(22)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-2-11-9(10)8-6-4-3-5-7-8;1-2-3;/h4-16,18H,17H2,1-3H3;5-12,14H,13H2,1-4H3;4-11,13H,12,21H2,1-3H3,(H,22,24);4-11,13H,12H2,1-3H3,(H,22,23);4-11,13,22H,12H2,1-3H3;3-7,10H,2H2,1H3;3H,2H2,1H3;1H/b;;;;;10-9-;;
InChIKeyRXQYFFPBXOQOAT-DVFQEHOJSA-N
XLogP25.87
TPSA319.05 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.86
LogP ≤ 525.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride?
The IUPAC name of 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride (CID 159992105) is 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride.
What is the SMILES notation for 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride?
The canonical SMILES for 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride is CCO.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(-c1nnc(-c3ccccc3)o1)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)NN)c(C(C)C)n2Cc1ccccc1.COc1ccc2c(c1)c(C(=O)O)c(C(C)C)n2Cc1ccccc1.Cl.[H]/N=C(\OCC)c1ccccc1.
What is the InChIKey of 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride?
The InChIKey is RXQYFFPBXOQOAT-DVFQEHOJSA-N. The full InChI is InChI=1S/C27H25N3O2.C21H23NO3.C20H23N3O2.2C20H21NO3.C9H11NO.C2H6O.ClH/c1-18(2)25-24(27-29-28-26(32-27)20-12-8-5-9-13-20)22-16-21(31-3)14-15-23(22)30(25)17-19-10-6-4-7-11-19;1-14(2)20-19(21(23)25-4)17-12-16(24-3)10-11-18(17)22(20)13-15-8-6-5-7-9-15;1-13(2)19-18(20(24)22-21)16-11-15(25-3)9-10-17(16)23(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(22)23)16-11-15(24-3)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-13(2)19-18(20(23)24-3)16-11-15(22)9-10-17(16)21(19)12-14-7-5-4-6-8-14;1-2-11-9(10)8-6-4-3-5-7-8;1-2-3;/h4-16,18H,17H2,1-3H3;5-12,14H,13H2,1-4H3;4-11,13H,12,21H2,1-3H3,(H,22,24);4-11,13H,12H2,1-3H3,(H,22,23);4-11,13,22H,12H2,1-3H3;3-7,10H,2H2,1H3;3H,2H2,1H3;1H/b;;;;;10-9-;;.
What are the key properties of 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride?
1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride has a molecular weight of 1976.86 g/mol, XLogP of 25.87, 27 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carbohydrazide;1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylic acid;2-(1-benzyl-5-methoxy-2-propan-2-ylindol-3-yl)-5-phenyl-1,3,4-oxadiazole;ethanol;ethyl benzenecarboximidate;methyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;methyl 1-benzyl-5-methoxy-2-propan-2-ylindole-3-carboxylate;hydrochloride is sourced from PubChem (CID 159992105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).