(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide

C20H21N3O2 — CID 74539651

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cccc3cc[nH]c23)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-19(23-25)9-8-15-4-6-16(7-5-15)14-21-12-10-17-2-1-3-18-11-13-22-20(17)18/h1-9,11,13,21-22,25H,10,12,14H2,(H,23,24)/b9-8+
InChIKeyYXUYGWFCUSBWQJ-CMDGGOBGSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 74539651) 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-7-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID74539651
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cccc3cc[nH]c23)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-19(23-25)9-8-15-4-6-16(7-5-15)14-21-12-10-17-2-1-3-18-11-13-22-20(17)18/h1-9,11,13,21-22,25H,10,12,14H2,(H,23,24)/b9-8+
InChIKeyYXUYGWFCUSBWQJ-CMDGGOBGSA-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'}

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Related Compounds

(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[3,2-c]pyridin-4-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539142
(E)-3-[2-fluoro-4-[[2-(1H-indol-4-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150296
(E)-N-hydroxy-3-[4-[[2-[5-(3-methylbut-2-enoxy)-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579407
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 85390507
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
(E)-N-hydroxy-3-[4-[[2-(1,2,3,4-tetrahydrocyclopenta[b]indol-8-yl)ethylamino]methyl]phenyl]prop-2-enamide;4-methyl-2,3-dihydro-1H-pyrrole
CID 144858774
(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 74538888
(E)-3-[4-[[2-(2,4-dihydro-1H-thieno[2,3-b]indol-8-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane;furan-2-amine
CID 144858694
(E)-3-[4-[[2-(2,3-dimethyl-1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane
CID 144858739

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 74539651) is (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2cccc3cc[nH]c23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is YXUYGWFCUSBWQJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(23-25)9-8-15-4-6-16(7-5-15)14-21-12-10-17-2-1-3-18-11-13-22-20(17)18/h1-9,11,13,21-22,25H,10,12,14H2,(H,23,24)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-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-7-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 74539651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).