(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide

C20H21N3O2 — CID 74539649

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2ccc3[nH]ccc3c2)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-20(23-25)8-6-15-1-3-17(4-2-15)14-21-11-9-16-5-7-19-18(13-16)10-12-22-19/h1-8,10,12-13,21-22,25H,9,11,14H2,(H,23,24)/b8-6+
InChIKeyIUGXESGVBOPJIM-SOFGYWHQSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 74539649) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID74539649
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2ccc3[nH]ccc3c2)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-20(23-25)8-6-15-1-3-17(4-2-15)14-21-11-9-16-5-7-19-18(13-16)10-12-22-19/h1-8,10,12-13,21-22,25H,9,11,14H2,(H,23,24)/b8-6+
InChIKeyIUGXESGVBOPJIM-SOFGYWHQSA-N
XLogP3.02
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
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'}

Analyze (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]-4-phenylbut-2-enamide
CID 118150418
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539142
(E)-3-[4-[[2-(2,3-dimethyl-1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane
CID 144858739
(E)-3-[2-fluoro-4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;3-methylidene-1,2-dihydropyrrole
CID 144858703
(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 74538888
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
(E)-N-hydroxy-3-[4-[[2-(1,3,4,9-tetrahydropyrano[3,4-b]indol-6-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 118150388
(E)-N-hydroxy-3-[4-[[2-(1,3,4,9-tetrahydrothiopyrano[3,4-b]indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 118150420
(E)-N-hydroxy-3-[4-[[2-[5-(3-methylbut-2-enoxy)-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579407
(E)-N-hydroxy-3-[4-[[2-(9H-pyrido[2,3-b]indol-6-yl)ethylamino]methyl]phenyl]prop-2-enamide;(3Z)-penta-1,3-diene
CID 144858685
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 74539649) is (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2ccc3[nH]ccc3c2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is IUGXESGVBOPJIM-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(23-25)8-6-15-1-3-17(4-2-15)14-21-11-9-16-5-7-19-18(13-16)10-12-22-19/h1-8,10,12-13,21-22,25H,9,11,14H2,(H,23,24)/b8-6+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 335.41 g/mol, XLogP of 3.02, 7 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-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 74539649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).