(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide

C20H28N4O5 — CID 72946640

IUPAC(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H28N4O5/c25-17-13-7-11-15(22-17)20(28)23-16(10-5-2-6-12-18(26)24-29)19(27)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,29H,2,5-7,10-13H2,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16-/m0/s1
InChIKeyHFFOCGFIJMCQCW-HOTGVXAUSA-N
MW404.47 g/mol
LogP1.23
Rot. Bonds10

About (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide

(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide (PubChem CID 72946640) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
PubChem CID72946640
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C20H28N4O5/c25-17-13-7-11-15(22-17)20(28)23-16(10-5-2-6-12-18(26)24-29)19(27)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,29H,2,5-7,10-13H2,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16-/m0/s1
InChIKeyHFFOCGFIJMCQCW-HOTGVXAUSA-N
XLogP1.23
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.23
H-Bond Donors ≤ 55
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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Related Compounds

2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
(2R)-N-[(2S)-1-anilino-7-ethoxycarbothioyloxy-1-oxoheptan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 140648063
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
CID 23557354
(2S)-6-oxo-N-[(3S)-2-oxo-1-phenyl-8-sulfanyloctan-3-yl]piperidine-2-carboxamide
CID 160640880
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
S-[(6S)-7-anilino-6-[[(2R)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]-7-oxoheptyl] ethanethioate
CID 71538209
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 89190410
2-benzamido-N'-nitroso-N-phenyloctanediamide
CID 163993312
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide (CID 72946640) is (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide is O=C(CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide?
The InChIKey is HFFOCGFIJMCQCW-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H28N4O5/c25-17-13-7-11-15(22-17)20(28)23-16(10-5-2-6-12-18(26)24-29)19(27)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,29H,2,5-7,10-13H2,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide?
(2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide has a molecular weight of 404.47 g/mol, XLogP of 1.23, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide is sourced from PubChem (CID 72946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).