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

C20H21N3O2 — CID 11759466

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)14-21-12-11-18-13-17-3-1-2-4-19(17)22-18/h1-10,13,21-22,25H,11-12,14H2,(H,23,24)/b10-9+
InChIKeyLZCMBRQLXVTLOY-MDZDMXLPSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds7

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

(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 11759466) 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-2-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID11759466
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)14-21-12-11-18-13-17-3-1-2-4-19(17)22-18/h1-10,13,21-22,25H,11-12,14H2,(H,23,24)/b10-9+
InChIKeyLZCMBRQLXVTLOY-MDZDMXLPSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 11759466) is (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCCc2cc3ccccc3[nH]2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is LZCMBRQLXVTLOY-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)14-21-12-11-18-13-17-3-1-2-4-19(17)22-18/h1-10,13,21-22,25H,11-12,14H2,(H,23,24)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-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-2-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11759466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).