(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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Related Compounds

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)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
(E)-3-[4-[(1-azoniatricyclo[3.3.1.13,7]decan-1-ylmethylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 145010715
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate
CID 158441021
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 20579488
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(E)-N-hydroxy-3-[4-[[2-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 53364277
(E)-3-[4-[[2-(2,3-dimethyl-1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane
CID 144858739
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867

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).