2-benzhydryl-N'-hydroxyoctanediamide

C21H26N2O3 — CID 87214895

IUPAC2-benzhydryl-N'-hydroxyoctanediamide
SMILESNC(=O)C(CCCCCC(=O)NO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c22-21(25)18(14-8-3-9-15-19(24)23-26)20(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20,26H,3,8-9,14-15H2,(H2,22,25)(H,23,24)
InChIKeyNMQKNNQJPGZNAF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.38
Rot. Bonds10

About 2-benzhydryl-N'-hydroxyoctanediamide

2-benzhydryl-N'-hydroxyoctanediamide (PubChem CID 87214895) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-benzhydryl-N'-hydroxyoctanediamide.

Molecular Properties

Compound Name2-benzhydryl-N'-hydroxyoctanediamide
PubChem CID87214895
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-benzhydryl-N'-hydroxyoctanediamide
SMILESNC(=O)C(CCCCCC(=O)NO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c22-21(25)18(14-8-3-9-15-19(24)23-26)20(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20,26H,3,8-9,14-15H2,(H2,22,25)(H,23,24)
InChIKeyNMQKNNQJPGZNAF-UHFFFAOYSA-N
XLogP3.38
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
8-(2-methylhydrazinyl)-8-oxo-2-phenyloctanamide
CID 175390039
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
N'-hydroxy-2-methyloctanediamide
CID 142680471
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
CID 145193842
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
2-(1-aminoethylidenecarbamothioyl)-N'-hydroxy-N-phenyloctanediamide
CID 143658232

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-N'-hydroxyoctanediamide?
The IUPAC name of 2-benzhydryl-N'-hydroxyoctanediamide (CID 87214895) is 2-benzhydryl-N'-hydroxyoctanediamide.
What is the SMILES notation for 2-benzhydryl-N'-hydroxyoctanediamide?
The canonical SMILES for 2-benzhydryl-N'-hydroxyoctanediamide is NC(=O)C(CCCCCC(=O)NO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-N'-hydroxyoctanediamide?
The InChIKey is NMQKNNQJPGZNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c22-21(25)18(14-8-3-9-15-19(24)23-26)20(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20,26H,3,8-9,14-15H2,(H2,22,25)(H,23,24).
What are the key properties of 2-benzhydryl-N'-hydroxyoctanediamide?
2-benzhydryl-N'-hydroxyoctanediamide has a molecular weight of 354.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-N'-hydroxyoctanediamide is sourced from PubChem (CID 87214895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).