(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide

C25H30N4O5 — CID 72946836

IUPAC(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)C1C(=O)NCC1c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C25H30N4O5/c30-21(29-34)15-9-3-8-14-20(23(31)27-18-12-6-2-7-13-18)28-25(33)22-19(16-26-24(22)32)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20,22,34H,3,8-9,14-16H2,(H,26,32)(H,27,31)(H,28,33)(H,29,30)/t19?,20-,22?/m0/s1
InChIKeyOICURQWOFDGPNS-FUHYEJFZSA-N
MW466.54 g/mol
LogP2.10
Rot. Bonds11

About (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide

(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide (PubChem CID 72946836) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide
PubChem CID72946836
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide
SMILESO=C(CCCCC[C@H](NC(=O)C1C(=O)NCC1c1ccccc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C25H30N4O5/c30-21(29-34)15-9-3-8-14-20(23(31)27-18-12-6-2-7-13-18)28-25(33)22-19(16-26-24(22)32)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20,22,34H,3,8-9,14-16H2,(H,26,32)(H,27,31)(H,28,33)(H,29,30)/t19?,20-,22?/m0/s1
InChIKeyOICURQWOFDGPNS-FUHYEJFZSA-N
XLogP2.10
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

(S)-N8-Hydroxy-2-((R)-5-oxopyrrolidine-2-carboxamido)-N1-(3-(trifluoromethyl)phenyl)octanediamide
CID 72710871
Unii-U5Y9ckp3XR
CID 10392082
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(N-methylacetamido)phenyl]-3-oxopropan-2-aminium
CID 23647708
(R)-N1-((S)-3,3-dimethyl-1-oxo-1-(phenylamino)butan-2-yl)-N4-hydroxy-2-(3-phenylpropyl)succinamide
CID 44368849
N-(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)-N'-hydroxy-2-(3-phenylpropyl)butanediamide
CID 75018100
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-phenyldiazinane-3-carboxamide
CID 155511457
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)octan-2-yl)benzamide
CID 9864818

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide (CID 72946836) is (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide is O=C(CCCCC[C@H](NC(=O)C1C(=O)NCC1c1ccccc1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide?
The InChIKey is OICURQWOFDGPNS-FUHYEJFZSA-N. The full InChI is InChI=1S/C25H30N4O5/c30-21(29-34)15-9-3-8-14-20(23(31)27-18-12-6-2-7-13-18)28-25(33)22-19(16-26-24(22)32)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-20,22,34H,3,8-9,14-16H2,(H,26,32)(H,27,31)(H,28,33)(H,29,30)/t19?,20-,22?/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide?
(2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide has a molecular weight of 466.54 g/mol, XLogP of 2.10, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)amino]-N-phenyloctanediamide is sourced from PubChem (CID 72946836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).