(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C22H23N3O2 — CID 58613709

IUPAC(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CC(NCCc1c[nH]c3ccccc13)C2)NO
InChIInChI=1S/C22H23N3O2/c26-22(25-27)8-6-15-5-7-16-12-19(13-18(16)11-15)23-10-9-17-14-24-21-4-2-1-3-20(17)21/h1-8,11,14,19,23-24,27H,9-10,12-13H2,(H,25,26)/b8-6+
InChIKeyYCXVCQIZQNJMBQ-SOFGYWHQSA-N
MW361.45 g/mol
LogP2.99
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 58613709) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID58613709
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CC(NCCc1c[nH]c3ccccc13)C2)NO
InChIInChI=1S/C22H23N3O2/c26-22(25-27)8-6-15-5-7-16-12-19(13-18(16)11-15)23-10-9-17-14-24-21-4-2-1-3-20(17)21/h1-8,11,14,19,23-24,27H,9-10,12-13H2,(H,25,26)/b8-6+
InChIKeyYCXVCQIZQNJMBQ-SOFGYWHQSA-N
XLogP2.99
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

tert-butyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-2-yl]-N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 174489341
tert-butyl formate;tert-butyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-2-yl]-N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 174489340
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
(E)-N-hydroxy-3-[(1R)-1-[(4-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922900
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
CID 155181306
N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 58614448
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 91271906
2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 58614559
N-hydroxy-3-[1-[(2-hydroxy-2-methylpropyl)-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838702
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838721

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 58613709) is (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CC(NCCc1c[nH]c3ccccc13)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is YCXVCQIZQNJMBQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(25-27)8-6-15-5-7-16-12-19(13-18(16)11-15)23-10-9-17-14-24-21-4-2-1-3-20(17)21/h1-8,11,14,19,23-24,27H,9-10,12-13H2,(H,25,26)/b8-6+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 58613709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).