(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride

C87H127ClN10O10Si2 — CID 159758810

IUPAC(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1.CCN(C(C)C)C(C)C.COC(=O)C=Cc1ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc2c[nH]c3ccccc23)cc1.Cl.NO.O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C29H40N2O3Si.C28H39N3O3Si.C22H25N3O3.C8H19N.ClH.H3NO/c1-29(2,3)35(5,6)34-20-19-31(18-17-25-21-30-27-10-8-7-9-26(25)27)22-24-13-11-23(12-14-24)15-16-28(32)33-4;1-28(2,3)35(4,5)34-19-18-31(17-16-24-20-29-26-9-7-6-8-25(24)26)21-23-12-10-22(11-13-23)14-15-27(32)30-33;26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28;1-6-9(7(2)3)8(4)5;;1-2/h7-16,21,30H,17-20,22H2,1-6H3;6-15,20,29,33H,16-19,21H2,1-5H3,(H,30,32);1-10,15,23,26,28H,11-14,16H2,(H,24,27);7-8H,6H2,1-5H3;1H;2H,1H2/b;15-14+;10-9+;;;
InChIKeyBDPASICPIWNHKB-KNMFOULVSA-N
MW1564.66 g/mol
LogP16.78
Rot. Bonds34

About (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride

(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride (PubChem CID 159758810) has the molecular formula C87H127ClN10O10Si2 and a molecular weight of 1564.66 g/mol. Its IUPAC name is (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride
PubChem CID159758810
Molecular FormulaC87H127ClN10O10Si2
Molecular Weight1564.66 g/mol
Exact Mass1562.90
IUPAC Name(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1.CCN(C(C)C)C(C)C.COC(=O)C=Cc1ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc2c[nH]c3ccccc23)cc1.Cl.NO.O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C29H40N2O3Si.C28H39N3O3Si.C22H25N3O3.C8H19N.ClH.H3NO/c1-29(2,3)35(5,6)34-20-19-31(18-17-25-21-30-27-10-8-7-9-26(25)27)22-24-13-11-23(12-14-24)15-16-28(32)33-4;1-28(2,3)35(4,5)34-19-18-31(17-16-24-20-29-26-9-7-6-8-25(24)26)21-23-12-10-22(11-13-23)14-15-27(32)30-33;26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28;1-6-9(7(2)3)8(4)5;;1-2/h7-16,21,30H,17-20,22H2,1-6H3;6-15,20,29,33H,16-19,21H2,1-5H3,(H,30,32);1-10,15,23,26,28H,11-14,16H2,(H,24,27);7-8H,6H2,1-5H3;1H;2H,1H2/b;15-14+;10-9+;;;
InChIKeyBDPASICPIWNHKB-KNMFOULVSA-N
XLogP16.78
TPSA270.23 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001564.66
LogP ≤ 516.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride with MolForge

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Related Compounds

Methyl 3-[4-({[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-acrylate
CID 59036876
3-[4-({[2-(tert-butyldimethylsilanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-(2E)-2-propenoic acid methyl ester
CID 66622370
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 129280864
methyl (E)-3-[1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 157954057
CID 158421775
CID 158421775
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate
CID 158441021
(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate;(E)-3-(1H-indol-3-yl)prop-2-enoic acid
CID 158852516
dimethyl 2-fluoropropanedioate;(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide;methanol;methyl (Z)-2-fluoro-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoate;methyl (E)-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoate
CID 159082344
CID 159111066
CID 159111066
CID 159111067
CID 159111067
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;N'-hydroxy-N-phenyloctanediamide
CID 159237052
CID 159514833
CID 159514833

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride?
The IUPAC name of (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride (CID 159758810) is (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride.
What is the SMILES notation for (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride?
The canonical SMILES for (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride is CC(C)(C)[Si](C)(C)OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1.CCN(C(C)C)C(C)C.COC(=O)C=Cc1ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc2c[nH]c3ccccc23)cc1.Cl.NO.O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride?
The InChIKey is BDPASICPIWNHKB-KNMFOULVSA-N. The full InChI is InChI=1S/C29H40N2O3Si.C28H39N3O3Si.C22H25N3O3.C8H19N.ClH.H3NO/c1-29(2,3)35(5,6)34-20-19-31(18-17-25-21-30-27-10-8-7-9-26(25)27)22-24-13-11-23(12-14-24)15-16-28(32)33-4;1-28(2,3)35(4,5)34-19-18-31(17-16-24-20-29-26-9-7-6-8-25(24)26)21-23-12-10-22(11-13-23)14-15-27(32)30-33;26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28;1-6-9(7(2)3)8(4)5;;1-2/h7-16,21,30H,17-20,22H2,1-6H3;6-15,20,29,33H,16-19,21H2,1-5H3,(H,30,32);1-10,15,23,26,28H,11-14,16H2,(H,24,27);7-8H,6H2,1-5H3;1H;2H,1H2/b;15-14+;10-9+;;;.
What are the key properties of (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride?
(E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride has a molecular weight of 1564.66 g/mol, XLogP of 16.78, 34 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide;N-ethyl-N-propan-2-ylpropan-2-amine;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide;hydroxylamine;methyl 3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enoate;hydrochloride is sourced from PubChem (CID 159758810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).