N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide

C22H26N4O4 — CID 162667414

IUPACN'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide
SMILESCOc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
InChIInChI=1S/C22H26N4O4/c1-30-19-9-7-6-8-16(19)15-12-13-17-18(14-15)24-25-22(17)23-20(27)10-4-2-3-5-11-21(28)26-29/h6-9,12-14,29H,2-5,10-11H2,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyNZPNDRAJSSSGPL-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.02
Rot. Bonds10

About N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide

N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide (PubChem CID 162667414) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide
PubChem CID162667414
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide
SMILESCOc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
InChIInChI=1S/C22H26N4O4/c1-30-19-9-7-6-8-16(19)15-12-13-17-18(14-15)24-25-22(17)23-20(27)10-4-2-3-5-11-21(28)26-29/h6-9,12-14,29H,2-5,10-11H2,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyNZPNDRAJSSSGPL-UHFFFAOYSA-N
XLogP4.02
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide (CID 162667414) is N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide is COc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1.
What is the InChIKey of N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide?
The InChIKey is NZPNDRAJSSSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-30-19-9-7-6-8-16(19)15-12-13-17-18(14-15)24-25-22(17)23-20(27)10-4-2-3-5-11-21(28)26-29/h6-9,12-14,29H,2-5,10-11H2,1H3,(H,26,28)(H2,23,24,25,27).
What are the key properties of N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide?
N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide has a molecular weight of 410.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[6-(2-methoxyphenyl)-1H-indazol-3-yl]octanediamide is sourced from PubChem (CID 162667414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).