N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide

C26H34N2O6 — CID 23654039

IUPACN'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide
SMILESCOCC1CC(c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)OC(c2ccccc2)O1
InChIInChI=1S/C26H34N2O6/c1-32-18-22-17-23(34-26(33-22)20-9-5-4-6-10-20)19-13-15-21(16-14-19)27-24(29)11-7-2-3-8-12-25(30)28-31/h4-6,9-10,13-16,22-23,26,31H,2-3,7-8,11-12,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLYUVXGJPBQUTFH-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.66
Rot. Bonds12

About N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide

N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide (PubChem CID 23654039) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide
PubChem CID23654039
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide
SMILESCOCC1CC(c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)OC(c2ccccc2)O1
InChIInChI=1S/C26H34N2O6/c1-32-18-22-17-23(34-26(33-22)20-9-5-4-6-10-20)19-13-15-21(16-14-19)27-24(29)11-7-2-3-8-12-25(30)28-31/h4-6,9-10,13-16,22-23,26,31H,2-3,7-8,11-12,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLYUVXGJPBQUTFH-UHFFFAOYSA-N
XLogP4.66
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.66
H-Bond Donors ≤ 53
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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Related Compounds

N-[4-[4-[[benzyl(methyl)amino]methyl]-6-phenyl-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide
CID 58731485
N'-hydroxy-N-[4-[2-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide
CID 23654040
N'-hydroxy-N-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(phenylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]heptanediamide
CID 6672777
N-[4-[4-[[benzyl(methyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyheptanediamide
CID 4662833
N'-hydroxy-N-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(sulfanylmethyl)-1,3-dioxan-2-yl]phenyl]octanediamide
CID 125032751
N-[4-[(2S,4S,6R)-4-[(dibenzylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyhexanediamide
CID 6678678
N'-hydroxy-N-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]heptanediamide
CID 6673713
N'-hydroxy-N-[4-[4-[4-(hydroxymethyl)phenyl]-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]octanediamide
CID 4650749
N'-hydroxy-N-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]hexanediamide
CID 4209578
N'-hydroxy-N-[4-[(2S,4S,6R)-4-(2-hydroxyethylsulfanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]heptanediamide
CID 6675945
N'-hydroxy-N-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]methyl]-1,3-dioxan-2-yl]phenyl]hexanediamide
CID 3887668
N'-hydroxy-N-[3-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]heptanediamide
CID 6676797

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide (CID 23654039) is N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide is COCC1CC(c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)OC(c2ccccc2)O1.
What is the InChIKey of N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide?
The InChIKey is LYUVXGJPBQUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-32-18-22-17-23(34-26(33-22)20-9-5-4-6-10-20)19-13-15-21(16-14-19)27-24(29)11-7-2-3-8-12-25(30)28-31/h4-6,9-10,13-16,22-23,26,31H,2-3,7-8,11-12,17-18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide?
N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide has a molecular weight of 470.57 g/mol, XLogP of 4.66, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[6-(methoxymethyl)-2-phenyl-1,3-dioxan-4-yl]phenyl]octanediamide is sourced from PubChem (CID 23654039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).