1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine

C196H218I2N22O21 — CID 172962780

IUPAC1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine
SMILESCC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C=O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCOC(=O)c1ccc(I)c(N)c1.CCOC(=O)c1ccc(I)cc1.CCOC(=O)c1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2cc(C(C)C)[nH]c2c1.CO.CO.CO/N=C/c1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1.CON.Cc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C30H32N4O2.C30H34N4O.C27H28N4O2.C26H25N3O2.C26H27N3O.C22H23NO4.C14H17NO2.C9H10INO2.C9H9IO2.CH5NO.2CH4O/c1-21(2)28-27(29(35)32-19-23-11-8-14-31-18-23)25-13-12-24(30(36)33-15-6-7-16-33)17-26(25)34(28)20-22-9-4-3-5-10-22;1-22(2)29-28(30(35)32-19-25-11-8-14-31-18-25)26-13-12-24(20-33-15-6-7-16-33)17-27(26)34(29)21-23-9-4-3-5-10-23;1-19(2)26-25(27(32)29-16-22-10-7-13-28-15-22)23-12-11-21(17-30-33-3)14-24(23)31(26)18-20-8-5-4-6-9-20;1-18(2)25-24(26(31)28-15-21-9-6-12-27-14-21)22-11-10-20(17-30)13-23(22)29(25)16-19-7-4-3-5-8-19;1-18(2)25-24(26(30)28-16-21-10-7-13-27-15-21)22-12-11-19(3)14-23(22)29(25)17-20-8-5-4-6-9-20;1-4-27-22(26)16-10-11-17-18(12-16)23(13-15-8-6-5-7-9-15)20(14(2)3)19(17)21(24)25;1-4-17-14(16)11-6-5-10-7-12(9(2)3)15-13(10)8-11;1-2-13-9(12)6-3-4-7(10)8(11)5-6;1-2-12-9(11)7-3-5-8(10)6-4-7;1-3-2;2*1-2/h3-5,8-14,17-18,21H,6-7,15-16,19-20H2,1-2H3,(H,32,35);3-5,8-14,17-18,22H,6-7,15-16,19-21H2,1-2H3,(H,32,35);4-15,17,19H,16,18H2,1-3H3,(H,29,32);3-14,17-18H,15-16H2,1-2H3,(H,28,31);4-15,18H,16-17H2,1-3H3,(H,28,30);5-12,14H,4,13H2,1-3H3,(H,24,25);5-9,15H,4H2,1-3H3;3-5H,2,11H2,1H3;3-6H,2H2,1H3;2H2,1H3;2*2H,1H3/b;;30-17+;;;;;;;;;
InChIKeyCWGBYZQDSLUSBN-SOMYCMFHSA-N
MW3471.84 g/mol
LogP38.02
Rot. Bonds49

About 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine

1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine (PubChem CID 172962780) has the molecular formula C196H218I2N22O21 and a molecular weight of 3471.84 g/mol. Its IUPAC name is 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine.

Molecular Properties

Compound Name1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine
PubChem CID172962780
Molecular FormulaC196H218I2N22O21
Molecular Weight3471.84 g/mol
Exact Mass3469.48
IUPAC Name1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine
SMILESCC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C=O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCOC(=O)c1ccc(I)c(N)c1.CCOC(=O)c1ccc(I)cc1.CCOC(=O)c1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2cc(C(C)C)[nH]c2c1.CO.CO.CO/N=C/c1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1.CON.Cc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C30H32N4O2.C30H34N4O.C27H28N4O2.C26H25N3O2.C26H27N3O.C22H23NO4.C14H17NO2.C9H10INO2.C9H9IO2.CH5NO.2CH4O/c1-21(2)28-27(29(35)32-19-23-11-8-14-31-18-23)25-13-12-24(30(36)33-15-6-7-16-33)17-26(25)34(28)20-22-9-4-3-5-10-22;1-22(2)29-28(30(35)32-19-25-11-8-14-31-18-25)26-13-12-24(20-33-15-6-7-16-33)17-27(26)34(29)21-23-9-4-3-5-10-23;1-19(2)26-25(27(32)29-16-22-10-7-13-28-15-22)23-12-11-21(17-30-33-3)14-24(23)31(26)18-20-8-5-4-6-9-20;1-18(2)25-24(26(31)28-15-21-9-6-12-27-14-21)22-11-10-20(17-30)13-23(22)29(25)16-19-7-4-3-5-8-19;1-18(2)25-24(26(30)28-16-21-10-7-13-27-15-21)22-12-11-19(3)14-23(22)29(25)17-20-8-5-4-6-9-20;1-4-27-22(26)16-10-11-17-18(12-16)23(13-15-8-6-5-7-9-15)20(14(2)3)19(17)21(24)25;1-4-17-14(16)11-6-5-10-7-12(9(2)3)15-13(10)8-11;1-2-13-9(12)6-3-4-7(10)8(11)5-6;1-2-12-9(11)7-3-5-8(10)6-4-7;1-3-2;2*1-2/h3-5,8-14,17-18,21H,6-7,15-16,19-20H2,1-2H3,(H,32,35);3-5,8-14,17-18,22H,6-7,15-16,19-21H2,1-2H3,(H,32,35);4-15,17,19H,16,18H2,1-3H3,(H,29,32);3-14,17-18H,15-16H2,1-2H3,(H,28,31);4-15,18H,16-17H2,1-3H3,(H,28,30);5-12,14H,4,13H2,1-3H3,(H,24,25);5-9,15H,4H2,1-3H3;3-5H,2,11H2,1H3;3-6H,2H2,1H3;2H2,1H3;2*2H,1H3/b;;30-17+;;;;;;;;;
InChIKeyCWGBYZQDSLUSBN-SOMYCMFHSA-N
XLogP38.02
TPSA561.76 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003471.84
LogP ≤ 538.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine with MolForge

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Related Compounds

3-Cyclohexyl-16-(1-methylpiperidin-4-yl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid;methyl 3-cyclohexyl-16-(1-methylpiperidin-4-yl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate;methyl 3-cyclohexyl-16-piperidin-4-yl-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate
CID 157273116
3-Cyclohexyl-16-[2-(dimethylamino)ethylcarbamoyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid;methyl 3-cyclohexyl-16-[2-(dimethylamino)ethylcarbamoyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate;oxolane
CID 157366965
13-cyclohexyl-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;(E)-3-[4-[[1-[[13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid;13-cyclohexyl-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;methane;methyl 13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate;methyl 13-cyclohexyl-6-(4-pyridin-4-ylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 157607490
3-Cyclohexyl-16-(4-methylpiperazine-1-carbonyl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid;methyl 3-cyclohexyl-16-(4-methylpiperazine-1-carbonyl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate;oxolane
CID 157688355
ethane;3-ethyl-1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indole;(2R,4R,5R,6R)-2-ethyl-3,4,5,6-tetramethyloxane;1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indole-3-carbaldehyde;1-[1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indol-3-yl]ethanol;1H-indole;1H-indole-3-carbaldehyde
CID 157729216
1-benzyl-6-tert-butylindole;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate
CID 157748040
1-(4-acetyl-2-phenyl-1-propyl-5-pyridin-3-ylpyrrol-3-yl)ethanone;1-(1-acetyl-3-phenyl-5-pyridin-3-ylpyrrol-2-yl)ethanone;carbon dioxide;ethyl 4-acetyl-2-phenyl-1-(2-phenylethyl)-5-pyridin-3-ylpyrrole-3-carboxylate;4-[[[2-(4-fluorophenyl)-4-phenylcyclopenta-1,3-diene-1-carbonyl]amino]methyl]-N-hydroxybenzamide;methyl 4-acetyl-1-benzyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylate;methyl 4-acetyl-1-methyl-2-phenyl-5-pyridin-3-ylpyrrole-3-carboxylate;1-methyl-2-phenyl-5-pyridin-4-ylpyrrole-3-carboxylic acid;1-[3-(4-methylphenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline
CID 157908046
(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one
CID 158282984
tert-butyl N-[[6-[(2-aminophenyl)carbamoyl]-1-methylindol-3-yl]methyl]-N-(4-morpholin-4-ylphenyl)carbamate;methyl 3-formyl-1H-indole-6-carboxylate;methyl 1-methyl-3-[[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]methyl]indole-6-carboxylate;methyl 3-[[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]methyl]-1H-indole-6-carboxylate;methyl 3-[(4-morpholin-4-ylanilino)methyl]-1H-indole-6-carboxylate;4-morpholin-4-ylaniline
CID 158365915
bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 158480461
CID 158487593
CID 158487593
(3S,4R)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;(3R,4S)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;ethyl (3S,4R)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylate;bis(ethyl (3R,4S)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylate)
CID 158624547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine?
The IUPAC name of 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine (CID 172962780) is 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine.
What is the SMILES notation for 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine?
The canonical SMILES for 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine is CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(C=O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCOC(=O)c1ccc(I)c(N)c1.CCOC(=O)c1ccc(I)cc1.CCOC(=O)c1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2cc(C(C)C)[nH]c2c1.CO.CO.CO/N=C/c1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1.CON.Cc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine?
The InChIKey is CWGBYZQDSLUSBN-SOMYCMFHSA-N. The full InChI is InChI=1S/C30H32N4O2.C30H34N4O.C27H28N4O2.C26H25N3O2.C26H27N3O.C22H23NO4.C14H17NO2.C9H10INO2.C9H9IO2.CH5NO.2CH4O/c1-21(2)28-27(29(35)32-19-23-11-8-14-31-18-23)25-13-12-24(30(36)33-15-6-7-16-33)17-26(25)34(28)20-22-9-4-3-5-10-22;1-22(2)29-28(30(35)32-19-25-11-8-14-31-18-25)26-13-12-24(20-33-15-6-7-16-33)17-27(26)34(29)21-23-9-4-3-5-10-23;1-19(2)26-25(27(32)29-16-22-10-7-13-28-15-22)23-12-11-21(17-30-33-3)14-24(23)31(26)18-20-8-5-4-6-9-20;1-18(2)25-24(26(31)28-15-21-9-6-12-27-14-21)22-11-10-20(17-30)13-23(22)29(25)16-19-7-4-3-5-8-19;1-18(2)25-24(26(30)28-16-21-10-7-13-27-15-21)22-12-11-19(3)14-23(22)29(25)17-20-8-5-4-6-9-20;1-4-27-22(26)16-10-11-17-18(12-16)23(13-15-8-6-5-7-9-15)20(14(2)3)19(17)21(24)25;1-4-17-14(16)11-6-5-10-7-12(9(2)3)15-13(10)8-11;1-2-13-9(12)6-3-4-7(10)8(11)5-6;1-2-12-9(11)7-3-5-8(10)6-4-7;1-3-2;2*1-2/h3-5,8-14,17-18,21H,6-7,15-16,19-20H2,1-2H3,(H,32,35);3-5,8-14,17-18,22H,6-7,15-16,19-21H2,1-2H3,(H,32,35);4-15,17,19H,16,18H2,1-3H3,(H,29,32);3-14,17-18H,15-16H2,1-2H3,(H,28,31);4-15,18H,16-17H2,1-3H3,(H,28,30);5-12,14H,4,13H2,1-3H3,(H,24,25);5-9,15H,4H2,1-3H3;3-5H,2,11H2,1H3;3-6H,2H2,1H3;2H2,1H3;2*2H,1H3/b;;30-17+;;;;;;;;;.
What are the key properties of 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine?
1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine has a molecular weight of 3471.84 g/mol, XLogP of 38.02, 49 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethoxycarbonyl-2-propan-2-ylindole-3-carboxylic acid;1-benzyl-6-formyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-6-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)indole-3-carboxamide;1-benzyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)-6-(pyrrolidin-1-ylmethyl)indole-3-carboxamide;ethyl 3-amino-4-iodobenzoate;ethyl 4-iodobenzoate;ethyl 2-propan-2-yl-1H-indole-6-carboxylate;methanol;O-methylhydroxylamine is sourced from PubChem (CID 172962780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).