(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide

C19H26N4O5 — CID 72946641

IUPAC(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15+/m0/s1
InChIKeyQMGDCUHFYVMSBA-LSDHHAIUSA-N
MW390.44 g/mol
LogP0.84
Rot. Bonds10

About (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide

(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide (PubChem CID 72946641) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide
PubChem CID72946641
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15+/m0/s1
InChIKeyQMGDCUHFYVMSBA-LSDHHAIUSA-N
XLogP0.84
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide (CID 72946641) is (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide is O=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide?
The InChIKey is QMGDCUHFYVMSBA-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15+/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide?
(2S)-N'-hydroxy-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide has a molecular weight of 390.44 g/mol, XLogP of 0.84, 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-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-N-phenyloctanediamide is sourced from PubChem (CID 72946641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).