(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

C26H25N3O2 — CID 20579392

IUPAC(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C26H25N3O2/c30-25(29-31)15-14-19-10-12-20(13-11-19)18-27-17-16-23-22-8-4-5-9-24(22)28-26(23)21-6-2-1-3-7-21/h1-15,27-28,31H,16-18H2,(H,29,30)/b15-14+
InChIKeyKFKMAKYLZATHBX-CCEZHUSRSA-N
MW411.51 g/mol
LogP4.69
Rot. Bonds8

About (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 20579392) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID20579392
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C26H25N3O2/c30-25(29-31)15-14-19-10-12-20(13-11-19)18-27-17-16-23-22-8-4-5-9-24(22)28-26(23)21-6-2-1-3-7-21/h1-15,27-28,31H,16-18H2,(H,29,30)/b15-14+
InChIKeyKFKMAKYLZATHBX-CCEZHUSRSA-N
XLogP4.69
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 20579392) is (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2c(-c3ccccc3)[nH]c3ccccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is KFKMAKYLZATHBX-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25(29-31)15-14-19-10-12-20(13-11-19)18-27-17-16-23-22-8-4-5-9-24(22)28-26(23)21-6-2-1-3-7-21/h1-15,27-28,31H,16-18H2,(H,29,30)/b15-14+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 411.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(2-phenyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 20579392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).