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

C127H147N17O21 — CID 158365915

IUPACtert-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
SMILESCOC(=O)c1ccc2c(C=O)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)cn(C)c2c1.COC(=O)c1ccc2c(CNc3ccc(N4CCOCC4)cc3)c[nH]c2c1.Cn1cc(CN(C(=O)OC(C)(C)C)c2ccc(N3CCOCC3)cc2)c2ccc(C(=O)Nc3ccccc3N)cc21.Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C32H37N5O4.C27H33N3O5.C26H31N3O5.C21H23N3O3.C11H9NO3.C10H14N2O/c1-32(2,3)41-31(39)37(25-12-10-24(11-13-25)36-15-17-40-18-16-36)21-23-20-35(4)29-19-22(9-14-26(23)29)30(38)34-28-8-6-5-7-27(28)33;1-27(2,3)35-26(32)30(22-9-7-21(8-10-22)29-12-14-34-15-13-29)18-20-17-28(4)24-16-19(25(31)33-5)6-11-23(20)24;1-26(2,3)34-25(31)29(21-8-6-20(7-9-21)28-11-13-33-14-12-28)17-19-16-27-23-15-18(24(30)32-4)5-10-22(19)23;1-26-21(25)15-2-7-19-16(14-23-20(19)12-15)13-22-17-3-5-18(6-4-17)24-8-10-27-11-9-24;1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h5-14,19-20H,15-18,21,33H2,1-4H3,(H,34,38);6-11,16-17H,12-15,18H2,1-5H3;5-10,15-16,27H,11-14,17H2,1-4H3;2-7,12,14,22-23H,8-11,13H2,1H3;2-6,12H,1H3;1-4H,5-8,11H2
InChIKeyGUAICAYZCPUBNY-UHFFFAOYSA-N
MW2247.67 g/mol
LogP21.54
Rot. Bonds24

About 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

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 (PubChem CID 158365915) has the molecular formula C127H147N17O21 and a molecular weight of 2247.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158365915
Molecular FormulaC127H147N17O21
Molecular Weight2247.67 g/mol
Exact Mass2246.10
IUPAC Nametert-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
SMILESCOC(=O)c1ccc2c(C=O)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)cn(C)c2c1.COC(=O)c1ccc2c(CNc3ccc(N4CCOCC4)cc3)c[nH]c2c1.Cn1cc(CN(C(=O)OC(C)(C)C)c2ccc(N3CCOCC3)cc2)c2ccc(C(=O)Nc3ccccc3N)cc21.Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C32H37N5O4.C27H33N3O5.C26H31N3O5.C21H23N3O3.C11H9NO3.C10H14N2O/c1-32(2,3)41-31(39)37(25-12-10-24(11-13-25)36-15-17-40-18-16-36)21-23-20-35(4)29-19-22(9-14-26(23)29)30(38)34-28-8-6-5-7-27(28)33;1-27(2,3)35-26(32)30(22-9-7-21(8-10-22)29-12-14-34-15-13-29)18-20-17-28(4)24-16-19(25(31)33-5)6-11-23(20)24;1-26(2,3)34-25(31)29(21-8-6-20(7-9-21)28-11-13-33-14-12-28)17-19-16-27-23-15-18(24(30)32-4)5-10-22(19)23;1-26-21(25)15-2-7-19-16(14-23-20(19)12-15)13-22-17-3-5-18(6-4-17)24-8-10-27-11-9-24;1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h5-14,19-20H,15-18,21,33H2,1-4H3,(H,34,38);6-11,16-17H,12-15,18H2,1-5H3;5-10,15-16,27H,11-14,17H2,1-4H3;2-7,12,14,22-23H,8-11,13H2,1H3;2-6,12H,1H3;1-4H,5-8,11H2
InChIKeyGUAICAYZCPUBNY-UHFFFAOYSA-N
XLogP21.54
TPSA423.64 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002247.67
LogP ≤ 521.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 157249216
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
[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] 4-methylpiperazine-1-carboxylate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] pyrrolidine-1-carboxylate;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-yl] benzoate;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-yl] propanoate
CID 157739786
tert-butyl 2-[3-[(Z)-2-amino-2-formyloxyethenyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[(E)-2-aminoprop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[(Z)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethenyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 157780509
[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] benzoate;[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethyl] N,N-dimethylcarbamate;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-amine;[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-yl] 2-methylpropanoate
CID 157982339
2-amino-3-(1H-indol-3-yl)propanoic acid;benzoyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;formaldehyde;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 158021613
ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 158073500
N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide
CID 158168584
ethyl 2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;ethyl 3-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;ethyl 2-[[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;methyl 2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate
CID 158194959
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
methyl 2-amino-3-(1H-indol-3-yl)propanoate;methyl 4-formylbenzoate;methyl 1-(4-methoxycarbonylphenyl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate;bis(methyl 1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate)
CID 158493917
1-benzyl-6-tert-butylindole;1-(6-tert-butylindol-1-yl)ethanone;N-[2-(6-tert-butylindol-1-yl)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide;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 158500351

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccc2c(C=O)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)c[nH]c2c1.COC(=O)c1ccc2c(CN(C(=O)OC(C)(C)C)c3ccc(N4CCOCC4)cc3)cn(C)c2c1.COC(=O)c1ccc2c(CNc3ccc(N4CCOCC4)cc3)c[nH]c2c1.Cn1cc(CN(C(=O)OC(C)(C)C)c2ccc(N3CCOCC3)cc2)c2ccc(C(=O)Nc3ccccc3N)cc21.Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 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?
The InChIKey is GUAICAYZCPUBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4.C27H33N3O5.C26H31N3O5.C21H23N3O3.C11H9NO3.C10H14N2O/c1-32(2,3)41-31(39)37(25-12-10-24(11-13-25)36-15-17-40-18-16-36)21-23-20-35(4)29-19-22(9-14-26(23)29)30(38)34-28-8-6-5-7-27(28)33;1-27(2,3)35-26(32)30(22-9-7-21(8-10-22)29-12-14-34-15-13-29)18-20-17-28(4)24-16-19(25(31)33-5)6-11-23(20)24;1-26(2,3)34-25(31)29(21-8-6-20(7-9-21)28-11-13-33-14-12-28)17-19-16-27-23-15-18(24(30)32-4)5-10-22(19)23;1-26-21(25)15-2-7-19-16(14-23-20(19)12-15)13-22-17-3-5-18(6-4-17)24-8-10-27-11-9-24;1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h5-14,19-20H,15-18,21,33H2,1-4H3,(H,34,38);6-11,16-17H,12-15,18H2,1-5H3;5-10,15-16,27H,11-14,17H2,1-4H3;2-7,12,14,22-23H,8-11,13H2,1H3;2-6,12H,1H3;1-4H,5-8,11H2.
What are the key properties of 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?
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 has a molecular weight of 2247.67 g/mol, XLogP of 21.54, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158365915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).