2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide

C22H27N3O4 — CID 87271873

IUPAC2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide
SMILESCC(C)(OCCCOCc1nn(Cc2ccccc2)c2ccccc12)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-22(2,21(26)24-27)29-14-8-13-28-16-19-18-11-6-7-12-20(18)25(23-19)15-17-9-4-3-5-10-17/h3-7,9-12,27H,8,13-16H2,1-2H3,(H,24,26)
InChIKeyWJMDXONUBTZMJQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.29
Rot. Bonds10

About 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide

2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide (PubChem CID 87271873) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide
PubChem CID87271873
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide
SMILESCC(C)(OCCCOCc1nn(Cc2ccccc2)c2ccccc12)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-22(2,21(26)24-27)29-14-8-13-28-16-19-18-11-6-7-12-20(18)25(23-19)15-17-9-4-3-5-10-17/h3-7,9-12,27H,8,13-16H2,1-2H3,(H,24,26)
InChIKeyWJMDXONUBTZMJQ-UHFFFAOYSA-N
XLogP3.29
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide (CID 87271873) is 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide is CC(C)(OCCCOCc1nn(Cc2ccccc2)c2ccccc12)C(=O)NO.
What is the InChIKey of 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide?
The InChIKey is WJMDXONUBTZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-22(2,21(26)24-27)29-14-8-13-28-16-19-18-11-6-7-12-20(18)25(23-19)15-17-9-4-3-5-10-17/h3-7,9-12,27H,8,13-16H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide?
2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 87271873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).