4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide

C23H26N2O3 — CID 91355304

IUPAC4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide
SMILESCc1c(C)n(Cc2ccc(C(=O)N(O)C3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-16-17(2)24(22-6-4-3-5-21(16)22)15-18-7-9-19(10-8-18)23(26)25(27)20-11-13-28-14-12-20/h3-10,20,27H,11-15H2,1-2H3
InChIKeyHEGQSSCLNHCIGY-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.32
Rot. Bonds4

About 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide

4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide (PubChem CID 91355304) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide
PubChem CID91355304
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide
SMILESCc1c(C)n(Cc2ccc(C(=O)N(O)C3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C23H26N2O3/c1-16-17(2)24(22-6-4-3-5-21(16)22)15-18-7-9-19(10-8-18)23(26)25(27)20-11-13-28-14-12-20/h3-10,20,27H,11-15H2,1-2H3
InChIKeyHEGQSSCLNHCIGY-UHFFFAOYSA-N
XLogP4.32
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide (CID 91355304) is 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide is Cc1c(C)n(Cc2ccc(C(=O)N(O)C3CCOCC3)cc2)c2ccccc12.
What is the InChIKey of 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide?
The InChIKey is HEGQSSCLNHCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-17(2)24(22-6-4-3-5-21(16)22)15-18-7-9-19(10-8-18)23(26)25(27)20-11-13-28-14-12-20/h3-10,20,27H,11-15H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide?
4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide has a molecular weight of 378.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylindol-1-yl)methyl]-N-hydroxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 91355304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).