N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide

C24H30N4O2 — CID 118211713

IUPACN-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCN(C)CC1
InChIInChI=1S/C24H30N4O2/c1-18-22(17-19-7-9-20(10-8-19)24(29)25-30)21-5-3-4-6-23(21)28(18)16-15-27-13-11-26(2)12-14-27/h3-10,30H,11-17H2,1-2H3,(H,25,29)
InChIKeySXPHKTJQXYHPLM-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.91
Rot. Bonds6

About N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide

N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide (PubChem CID 118211713) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
PubChem CID118211713
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCN(C)CC1
InChIInChI=1S/C24H30N4O2/c1-18-22(17-19-7-9-20(10-8-19)24(29)25-30)21-5-3-4-6-23(21)28(18)16-15-27-13-11-26(2)12-14-27/h3-10,30H,11-17H2,1-2H3,(H,25,29)
InChIKeySXPHKTJQXYHPLM-UHFFFAOYSA-N
XLogP2.91
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide (CID 118211713) is N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCN(C)CC1.
What is the InChIKey of N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide?
The InChIKey is SXPHKTJQXYHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-22(17-19-7-9-20(10-8-19)24(29)25-30)21-5-3-4-6-23(21)28(18)16-15-27-13-11-26(2)12-14-27/h3-10,30H,11-17H2,1-2H3,(H,25,29).
What are the key properties of N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide?
N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide is sourced from PubChem (CID 118211713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).