N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

C21H23N3O6 — CID 10112389

IUPACN-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O
InChIInChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyBRSYUNJNYYWNHY-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.56
Rot. Bonds7

About N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 10112389) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID10112389
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O
InChIInChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyBRSYUNJNYYWNHY-UHFFFAOYSA-N
XLogP2.56
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10165199
N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
CID 23001577
2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10157703
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
trans-methyl (1S,2S)-2-(hydroxycarbamoyl)-1-[3-[(3-nitrophenyl)methoxy]phenyl]cyclopropane-1-carboxylate
CID 58620226
N-methyl-4-[4-[(3-nitrophenyl)methoxy]phenyl]butan-2-amine
CID 15059570
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
methyl 2-acetyl-5-[(3-nitrophenyl)methoxy]benzoate
CID 91864085
(3S,8aR)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68994127

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (CID 10112389) is N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O.
What is the InChIKey of N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is BRSYUNJNYYWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 413.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10112389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).