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

C21H25N3O2 — CID 87310494

IUPAC(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCC1Nc2ccccc2C1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H25N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,15,18,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKeyFBMHNSVNGMGYTG-ZHACJKMWSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds7

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

(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 87310494) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID87310494
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCC1Nc2ccccc2C1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H25N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,15,18,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKeyFBMHNSVNGMGYTG-ZHACJKMWSA-N
XLogP3.28
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 87310494) is (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is CC1Nc2ccccc2C1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is FBMHNSVNGMGYTG-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,15,18,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 87310494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).