4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide

C20H21N3O3 — CID 176898102

IUPAC4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-14(24)21-11-10-17-13-23(19-5-3-2-4-18(17)19)12-15-6-8-16(9-7-15)20(25)22-26/h2-9,13,26H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGGXFKAODJJBCJH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.49
Rot. Bonds6

About 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide

4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 176898102) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID176898102
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-14(24)21-11-10-17-13-23(19-5-3-2-4-18(17)19)12-15-6-8-16(9-7-15)20(25)22-26/h2-9,13,26H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGGXFKAODJJBCJH-UHFFFAOYSA-N
XLogP2.49
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
CID 102296524
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898106
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
CID 10740075
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
4-(benzenesulfinyl)-N-[2-(1-benzylindol-3-yl)ethyl]butanamide
CID 15550783
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide (CID 176898102) is 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide is CC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccccc12.
What is the InChIKey of 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is GGXFKAODJJBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)21-11-10-17-13-23(19-5-3-2-4-18(17)19)12-15-6-8-16(9-7-15)20(25)22-26/h2-9,13,26H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 176898102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).