N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide

C16H20N2O4 — CID 664797

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide
SMILESCCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c1-2-3-5-10-14(19)18(22)13-11-15(20)17(16(13)21)12-8-6-4-7-9-12/h4,6-9,13,22H,2-3,5,10-11H2,1H3
InChIKeyHPSIGLZQAMAXHS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.12
Rot. Bonds6

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide (PubChem CID 664797) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide
PubChem CID664797
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide
SMILESCCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c1-2-3-5-10-14(19)18(22)13-11-15(20)17(16(13)21)12-8-6-4-7-9-12/h4,6-9,13,22H,2-3,5,10-11H2,1H3
InChIKeyHPSIGLZQAMAXHS-UHFFFAOYSA-N
XLogP2.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-Phenyl-2-piperidinosuccinimide
CID 250855
Felipyrine
CID 71108
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3711227
3,3'-(Hydroxyazanediyl)bis(1-(p-tolyl)pyrrolidine-2,5-dione)
CID 662190
3-[Hydroxy(phenyl)amino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 662171
3-[Hydroxy(phenyl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 662172
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 662672
Ethyl 4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 2858122
3-Azepan-1-yl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2942402

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide (CID 664797) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide is CCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide?
The InChIKey is HPSIGLZQAMAXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-3-5-10-14(19)18(22)13-11-15(20)17(16(13)21)12-8-6-4-7-9-12/h4,6-9,13,22H,2-3,5,10-11H2,1H3.
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide has a molecular weight of 304.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 664797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).