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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide

C107H93FN12O12 — CID 158825703

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;amino (E)-3-(1-phenylindol-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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (PubChem CID 158825703) has the molecular formula C107H93FN12O12 and a molecular weight of 1757.99 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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

• Compound Name: 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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
• PubChem CID: 158825703
• Molecular Formula: C107H93FN12O12
• Molecular Weight: 1757.99 g/mol
• Exact Mass: 1756.70
• IUPAC Name: 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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide
• SMILES: NOC(=O)/C=C/c1ccc2[nH]cc(Cc3ccccc3)c2c1.NOC(=O)/C=C/c1ccc2c(Cc3ccccc3)c[nH]c2c1.NOC(=O)/C=C/c1ccc2c(ccn2-c2ccccc2)c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccc(F)cc2)c1.NOC(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1.O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)NO
• InChI: InChI=1S/C18H15FN2O2.4C18H16N2O2.C17H14N2O2/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;18-21-17(20)9-7-13-6-8-16-14(12-13)10-11-19(16)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;1-12H,18H2/b8-4+;11-10+;4*9-7+
• InChIKey: IWKVFPYVBSFVMT-FDBSNKNGSA-N
• XLogP: 19.02
• TPSA: 362.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.99
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

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'}

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;amino (E)-3-(1-phenylindol-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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide (CID 158825703) 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;amino (E)-3-(1-phenylindol-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;amino (E)-3-(1-phenylindol-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;amino (E)-3-(1-phenylindol-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(ccn2-c2ccccc2)c1.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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide?

The InChIKey is IWKVFPYVBSFVMT-FDBSNKNGSA-N. The full InChI is InChI=1S/C18H15FN2O2.4C18H16N2O2.C17H14N2O2/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;18-21-17(20)9-7-13-6-8-16-14(12-13)10-11-19(16)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;1-12H,18H2/b8-4+;11-10+;4*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;amino (E)-3-(1-phenylindol-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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide has a molecular weight of 1757.99 g/mol, XLogP of 19.02, 23 rotatable bonds, 9 hydrogen bond donors, and 21 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;amino (E)-3-(1-phenylindol-5-yl)prop-2-enoate;(E)-3-(1-benzylindol-3-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 158825703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).