amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide

C90H79FN10O10 — CID 159460447

IUPACamino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
SMILESNOC(=O)/C=C/c1ccc2[nH]cc(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1ccc2c(Cc3ccccc3)c[nH]c2c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccc(F)cc2)c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/C18H15FN2O2.4C18H16N2O2/c19-16-5-1-14(2-6-16)12-21-10-9-15-11-13(3-7-17(15)21)4-8-18(22)23-20;21-18(19-22)11-10-15-13-20(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17;19-22-18(21)9-7-14-6-8-17-16(11-14)15(12-20-17)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-16-15(12-20-17(16)11-14)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-11H,12,20H2;1-11,13,22H,12H2,(H,19,21);2*1-9,11-12,20H,10,19H2;1-12H,13,19H2/b8-4+;11-10+;3*9-7+
InChIKeyLUNHHEAWEIAONK-WGRNATIUSA-N
MW1479.68 g/mol
LogP15.96
Rot. Bonds20

About amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide

amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (PubChem CID 159460447) has the molecular formula C90H79FN10O10 and a molecular weight of 1479.68 g/mol. Its IUPAC name is amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Nameamino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
PubChem CID159460447
Molecular FormulaC90H79FN10O10
Molecular Weight1479.68 g/mol
Exact Mass1478.60
IUPAC Nameamino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
SMILESNOC(=O)/C=C/c1ccc2[nH]cc(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1ccc2c(Cc3ccccc3)c[nH]c2c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccc(F)cc2)c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/C18H15FN2O2.4C18H16N2O2/c19-16-5-1-14(2-6-16)12-21-10-9-15-11-13(3-7-17(15)21)4-8-18(22)23-20;21-18(19-22)11-10-15-13-20(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17;19-22-18(21)9-7-14-6-8-17-16(11-14)15(12-20-17)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-16-15(12-20-17(16)11-14)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-11H,12,20H2;1-11,13,22H,12H2,(H,19,21);2*1-9,11-12,20H,10,19H2;1-12H,13,19H2/b8-4+;11-10+;3*9-7+
InChIKeyLUNHHEAWEIAONK-WGRNATIUSA-N
XLogP15.96
TPSA304.98 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001479.68
LogP ≤ 515.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide with MolForge

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Related Compounds

6-tert-butyl-2,3-dihydro-1H-indole;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-methyl-1H-indole;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-methyl-1H-indole
CID 157452816
5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
CID 160465750
5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
CID 160586188
tert-butyl (2S)-2-[[6-fluoro-1-[2-[6-fluoro-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]indol-1-yl]ethyl]indol-3-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;6-fluoro-1-[2-[6-fluoro-3-[[(2S)-pyrrolidin-2-yl]methyl]indol-1-yl]ethyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]indole;2,2,2-trifluoro-1-[(2S)-2-[[6-fluoro-1-[2-[6-fluoro-3-[[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]methyl]indol-1-yl]ethyl]indol-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 161779924
2-(1H-Indol-3-yl)ethanaminium acetate hemihydrate
CID 139088805
bis[3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-benzyl-2,4-dioxoimidazolidin-1-yl] (Z)-but-2-enedioate
CID 67855182
bis[[2-[(3S)-3-[2-[4-(1H-indol-5-yl)piperidin-1-yl]ethyl]-2,3-dihydroindol-1-yl]acetyl]amino] oxalate
CID 140129608
bis[[2-[(3S)-3-[2-[4-(1H-indol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]acetyl]amino] oxalate
CID 140129615
N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide
CID 147686414
6-[2-[[benzyl(methyl)amino]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylethyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1R)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(pyridin-2-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 157210146
3,4-dibromo-1-methylpyrrole-2,5-dione;3-[3-[4-(1,5-dimethylindol-3-yl)-1-methylpyrrol-3-yl]-5-methylindol-1-yl]propan-1-amine;1,5-dimethyl-3-[1-methyl-4-(5-methyl-1H-indol-3-yl)pyrrol-3-yl]indole;5-methyl-1H-indole
CID 157229267
amino (E)-3-(1-benzoylindol-5-yl)prop-2-enoate;amino (E)-3-(1-benzyl-2,3-dihydroindol-5-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-7-yl)prop-2-enoate
CID 157306524

Frequently Asked Questions

What is the IUPAC name of amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (CID 159460447) is amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide is NOC(=O)/C=C/c1ccc2[nH]cc(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1ccc2c(Cc3ccccc3)c[nH]c2c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccc(F)cc2)c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO.
What is the InChIKey of amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The InChIKey is LUNHHEAWEIAONK-WGRNATIUSA-N. The full InChI is InChI=1S/C18H15FN2O2.4C18H16N2O2/c19-16-5-1-14(2-6-16)12-21-10-9-15-11-13(3-7-17(15)21)4-8-18(22)23-20;21-18(19-22)11-10-15-13-20(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17;19-22-18(21)9-7-14-6-8-17-16(11-14)15(12-20-17)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-16-15(12-20-17(16)11-14)10-13-4-2-1-3-5-13;19-22-18(21)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-11H,12,20H2;1-11,13,22H,12H2,(H,19,21);2*1-9,11-12,20H,10,19H2;1-12H,13,19H2/b8-4+;11-10+;3*9-7+.
What are the key properties of amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide has a molecular weight of 1479.68 g/mol, XLogP of 15.96, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for amino (E)-3-(1-benzylindol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-5-yl)prop-2-enoate;amino (E)-3-(3-benzyl-1H-indol-6-yl)prop-2-enoate;amino (E)-3-[1-[(4-fluorophenyl)methyl]indol-5-yl]prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 159460447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).