(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C29H34N4O4 — CID 58613819

IUPAC(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCC(=O)N1CCOCC1)CCc1c[nH]c2ccccc12)NO
InChIInChI=1S/C29H34N4O4/c34-28(31-36)10-6-21-5-8-25-22(19-21)7-9-27(25)32(14-12-29(35)33-15-17-37-18-16-33)13-11-23-20-30-26-4-2-1-3-24(23)26/h1-6,8,10,19-20,27,30,36H,7,9,11-18H2,(H,31,34)/b10-6+
InChIKeyTWPNEJXQDAXLDX-UXBLZVDNSA-N
MW502.62 g/mol
LogP3.47
Rot. Bonds9

About (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 58613819) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID58613819
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCC(=O)N1CCOCC1)CCc1c[nH]c2ccccc12)NO
InChIInChI=1S/C29H34N4O4/c34-28(31-36)10-6-21-5-8-25-22(19-21)7-9-27(25)32(14-12-29(35)33-15-17-37-18-16-33)13-11-23-20-30-26-4-2-1-3-24(23)26/h1-6,8,10,19-20,27,30,36H,7,9,11-18H2,(H,31,34)/b10-6+
InChIKeyTWPNEJXQDAXLDX-UXBLZVDNSA-N
XLogP3.47
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]ethyl]morpholine-4-carboxamide
CID 58614072
3-[1-[2-(4-acetylpiperazin-1-yl)ethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838850
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838719
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
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
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
(E)-N-hydroxy-3-[1-[2-(2-hydroxyethoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614458
[4-[2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]ethyl]piperazin-1-yl]methanesulfinate
CID 174503456
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838002
(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)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614241
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(2-morpholin-4-ylethylsulfinamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 142958278

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 58613819) is (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2N(CCC(=O)N1CCOCC1)CCc1c[nH]c2ccccc12)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is TWPNEJXQDAXLDX-UXBLZVDNSA-N. The full InChI is InChI=1S/C29H34N4O4/c34-28(31-36)10-6-21-5-8-25-22(19-21)7-9-27(25)32(14-12-29(35)33-15-17-37-18-16-33)13-11-23-20-30-26-4-2-1-3-24(23)26/h1-6,8,10,19-20,27,30,36H,7,9,11-18H2,(H,31,34)/b10-6+.
What are the key properties of (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 502.62 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 58613819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).