2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C14H18N2O4 — CID 107722529

IUPAC2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O4/c1-15(9-13(19)16-6-2-3-7-16)14(20)11-8-10(17)4-5-12(11)18/h4-5,8,17-18H,2-3,6-7,9H2,1H3
InChIKeyJXCQZSWZODBYAN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds3

About 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 107722529) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID107722529
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O4/c1-15(9-13(19)16-6-2-3-7-16)14(20)11-8-10(17)4-5-12(11)18/h4-5,8,17-18H,2-3,6-7,9H2,1H3
InChIKeyJXCQZSWZODBYAN-UHFFFAOYSA-N
XLogP0.79
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
2,5-dihydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107723658
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 61108974
4-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 51095335
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 169223305
3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 156723728
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 55567018

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 107722529) is 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is CN(CC(=O)N1CCCC1)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is JXCQZSWZODBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15(9-13(19)16-6-2-3-7-16)14(20)11-8-10(17)4-5-12(11)18/h4-5,8,17-18H,2-3,6-7,9H2,1H3.
What are the key properties of 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 107722529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).