amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide

C83H74N10O10 — CID 158542715

IUPACamino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
SMILESNOC(=O)/C=C/c1ccc2ccn(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1cccc2[nH]ccc12.NOC(=O)/C=C/c1cccc2c1ccn2Cc1ccccc1.NOC(=O)/C=C/c1cccc2ccn(Cc3ccccc3)c12.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/4C18H16N2O2.C11H10N2O2/c21-18(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)10-9-15-7-4-8-17-16(15)11-12-20(17)13-14-5-2-1-3-6-14;19-22-17(21)10-9-15-7-4-8-16-11-12-20(18(15)16)13-14-5-2-1-3-6-14;19-22-18(21)9-7-14-6-8-16-10-11-20(17(16)12-14)13-15-4-2-1-3-5-15;12-15-11(14)5-4-8-2-1-3-10-9(8)6-7-13-10/h1-11,13,22H,12H2,(H,19,21);3*1-12H,13,19H2;1-7,13H,12H2/b11-10+;2*10-9+;9-7+;5-4+
InChIKeyHOSMYJGZGFFARU-NMWSYPMISA-N
MW1371.57 g/mol
LogP14.17
Rot. Bonds18

About amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide

amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (PubChem CID 158542715) has the molecular formula C83H74N10O10 and a molecular weight of 1371.57 g/mol. Its IUPAC name is amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Nameamino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
PubChem CID158542715
Molecular FormulaC83H74N10O10
Molecular Weight1371.57 g/mol
Exact Mass1370.56
IUPAC Nameamino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
SMILESNOC(=O)/C=C/c1ccc2ccn(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1cccc2[nH]ccc12.NOC(=O)/C=C/c1cccc2c1ccn2Cc1ccccc1.NOC(=O)/C=C/c1cccc2ccn(Cc3ccccc3)c12.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/4C18H16N2O2.C11H10N2O2/c21-18(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)10-9-15-7-4-8-17-16(15)11-12-20(17)13-14-5-2-1-3-6-14;19-22-17(21)10-9-15-7-4-8-16-11-12-20(18(15)16)13-14-5-2-1-3-6-14;19-22-18(21)9-7-14-6-8-16-10-11-20(17(16)12-14)13-15-4-2-1-3-5-15;12-15-11(14)5-4-8-2-1-3-10-9(8)6-7-13-10/h1-11,13,22H,12H2,(H,19,21);3*1-12H,13,19H2;1-7,13H,12H2/b11-10+;2*10-9+;9-7+;5-4+
InChIKeyHOSMYJGZGFFARU-NMWSYPMISA-N
XLogP14.17
TPSA294.12 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.57
LogP ≤ 514.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

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-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide with MolForge

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Related Compounds

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(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(1H-indol-6-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
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(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(1H-indol-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
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bis[4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-oxoquinolin-1-yl] (Z)-but-2-enedioate
CID 67785284
bis[4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-oxoquinolin-1-yl] (E)-but-2-enedioate
CID 67785625
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(1H-indol-6-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838547
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(1H-indol-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838897
bis[[2-[3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-4-methyl-2,3-dihydroindol-1-yl]acetyl]amino] oxalate
CID 140129609
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
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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
8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide
CID 155175514

Frequently Asked Questions

What is the IUPAC name of amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (CID 158542715) is amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-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-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide is NOC(=O)/C=C/c1ccc2ccn(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1cccc2[nH]ccc12.NOC(=O)/C=C/c1cccc2c1ccn2Cc1ccccc1.NOC(=O)/C=C/c1cccc2ccn(Cc3ccccc3)c12.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO.
What is the InChIKey of amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
The InChIKey is HOSMYJGZGFFARU-NMWSYPMISA-N. The full InChI is InChI=1S/4C18H16N2O2.C11H10N2O2/c21-18(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)10-9-15-7-4-8-17-16(15)11-12-20(17)13-14-5-2-1-3-6-14;19-22-17(21)10-9-15-7-4-8-16-11-12-20(18(15)16)13-14-5-2-1-3-6-14;19-22-18(21)9-7-14-6-8-16-10-11-20(17(16)12-14)13-15-4-2-1-3-5-15;12-15-11(14)5-4-8-2-1-3-10-9(8)6-7-13-10/h1-11,13,22H,12H2,(H,19,21);3*1-12H,13,19H2;1-7,13H,12H2/b11-10+;2*10-9+;9-7+;5-4+.
What are the key properties of amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?
amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide has a molecular weight of 1371.57 g/mol, XLogP of 14.17, 18 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for amino (E)-3-(1-benzylindol-4-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-6-yl)prop-2-enoate;amino (E)-3-(1-benzylindol-7-yl)prop-2-enoate;amino (E)-3-(1H-indol-4-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 158542715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).