(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C24H29N3O2 — CID 20579393

IUPAC(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C24H29N3O2/c1-24(2,3)23-20(19-6-4-5-7-21(19)26-23)14-15-25-16-18-10-8-17(9-11-18)12-13-22(28)27-29/h4-13,25-26,29H,14-16H2,1-3H3,(H,27,28)/b13-12+
InChIKeyOBWNLXZLIGARLU-OUKQBFOZSA-N
MW391.52 g/mol
LogP4.32
Rot. Bonds7

About (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 20579393) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID20579393
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C24H29N3O2/c1-24(2,3)23-20(19-6-4-5-7-21(19)26-23)14-15-25-16-18-10-8-17(9-11-18)12-13-22(28)27-29/h4-13,25-26,29H,14-16H2,1-3H3,(H,27,28)/b13-12+
InChIKeyOBWNLXZLIGARLU-OUKQBFOZSA-N
XLogP4.32
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.32
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)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 20579393) is (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is CC(C)(C)c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is OBWNLXZLIGARLU-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-24(2,3)23-20(19-6-4-5-7-21(19)26-23)14-15-25-16-18-10-8-17(9-11-18)12-13-22(28)27-29/h4-13,25-26,29H,14-16H2,1-3H3,(H,27,28)/b13-12+.
What are the key properties of (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 391.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(2-tert-butyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 20579393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).