N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide

C21H25N3O2 — CID 163829900

IUPACN-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide
SMILESCCCc1c(CNC)c2ccccc2n1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H25N3O2/c1-3-6-19-18(13-22-2)17-7-4-5-8-20(17)24(19)14-15-9-11-16(12-10-15)21(25)23-26/h4-5,7-12,22,26H,3,6,13-14H2,1-2H3,(H,23,25)
InChIKeyOCUAJMLEGMXPLJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.48
Rot. Bonds7

About N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide

N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide (PubChem CID 163829900) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide
PubChem CID163829900
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide
SMILESCCCc1c(CNC)c2ccccc2n1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H25N3O2/c1-3-6-19-18(13-22-2)17-7-4-5-8-20(17)24(19)14-15-9-11-16(12-10-15)21(25)23-26/h4-5,7-12,22,26H,3,6,13-14H2,1-2H3,(H,23,25)
InChIKeyOCUAJMLEGMXPLJ-UHFFFAOYSA-N
XLogP3.48
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N-hydroxy-4-[[2-(4-propylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 162517986
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
N-hydroxy-4-[(2-methyl-5-oxoimidazo[1,2-c]quinazolin-6-yl)methyl]benzamide
CID 171037927
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
CID 155533398
N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide
CID 150096934
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
4-[[3-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151340752
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide (CID 163829900) is N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide is CCCc1c(CNC)c2ccccc2n1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide?
The InChIKey is OCUAJMLEGMXPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-6-19-18(13-22-2)17-7-4-5-8-20(17)24(19)14-15-9-11-16(12-10-15)21(25)23-26/h4-5,7-12,22,26H,3,6,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide is sourced from PubChem (CID 163829900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).