4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide

C23H27N3O4 — CID 176898096

IUPAC4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCCCC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H27N3O4/c1-3-4-22(27)24-12-11-18-15-26(21-10-9-19(30-2)13-20(18)21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,15,29H,3-4,11-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOZOYGEKKIYEKIP-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.28
Rot. Bonds9

About 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide

4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 176898096) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID176898096
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCCCC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H27N3O4/c1-3-4-22(27)24-12-11-18-15-26(21-10-9-19(30-2)13-20(18)21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,15,29H,3-4,11-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOZOYGEKKIYEKIP-UHFFFAOYSA-N
XLogP3.28
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898106
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
CID 24753808
2-[1-[(4-bromophenyl)methyl]-5-prop-2-enoxyindol-3-yl]-N-butylacetamide
CID 101490756

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (CID 176898096) is 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is CCCC(=O)NCCc1cn(Cc2ccc(C(=O)NO)cc2)c2ccc(OC)cc12.
What is the InChIKey of 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is OZOYGEKKIYEKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-4-22(27)24-12-11-18-15-26(21-10-9-19(30-2)13-20(18)21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,15,29H,3-4,11-12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 409.49 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 176898096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).