(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C25H26N4O3 — CID 58613703

IUPAC(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESN#Cc1cc2c(cc1/C=C/C(=O)NO)CCC2N(CCO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H26N4O3/c26-15-20-14-22-18(13-17(20)6-8-25(31)28-32)5-7-24(22)29(11-12-30)10-9-19-16-27-23-4-2-1-3-21(19)23/h1-4,6,8,13-14,16,24,27,30,32H,5,7,9-12H2,(H,28,31)/b8-6+
InChIKeyHOMOKCRZMWOPDO-SOFGYWHQSA-N
MW430.51 g/mol
LogP3.08
Rot. Bonds8

About (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613703) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613703
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESN#Cc1cc2c(cc1/C=C/C(=O)NO)CCC2N(CCO)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H26N4O3/c26-15-20-14-22-18(13-17(20)6-8-25(31)28-32)5-7-24(22)29(11-12-30)10-9-19-16-27-23-4-2-1-3-21(19)23/h1-4,6,8,13-14,16,24,27,30,32H,5,7,9-12H2,(H,28,31)/b8-6+
InChIKeyHOMOKCRZMWOPDO-SOFGYWHQSA-N
XLogP3.08
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.08
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-hydroxy-3-[1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-6-nitro-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838584
(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
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
3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide
CID 58614236
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
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-[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
(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
4-[[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]benzamide
CID 58613667
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
(E)-N-hydroxy-3-[(1R)-1-[2-hydroxyethyl-[2-(6-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922978

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613703) is (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is N#Cc1cc2c(cc1/C=C/C(=O)NO)CCC2N(CCO)CCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is HOMOKCRZMWOPDO-SOFGYWHQSA-N. The full InChI is InChI=1S/C25H26N4O3/c26-15-20-14-22-18(13-17(20)6-8-25(31)28-32)5-7-24(22)29(11-12-30)10-9-19-16-27-23-4-2-1-3-21(19)23/h1-4,6,8,13-14,16,24,27,30,32H,5,7,9-12H2,(H,28,31)/b8-6+.
What are the key properties of (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 430.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).