2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide

C18H18N2O4 — CID 56764107

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H18N2O4/c21-15(14-7-3-5-12-4-1-2-6-13(12)14)10-19-16(22)11-20-17(23)8-9-18(20)24/h1-7,15,21H,8-11H2,(H,19,22)
InChIKeyCXKCMBOTHCOKNL-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.14
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide (PubChem CID 56764107) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
PubChem CID56764107
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H18N2O4/c21-15(14-7-3-5-12-4-1-2-6-13(12)14)10-19-16(22)11-20-17(23)8-9-18(20)24/h1-7,15,21H,8-11H2,(H,19,22)
InChIKeyCXKCMBOTHCOKNL-UHFFFAOYSA-N
XLogP1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 100724436
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 90534330
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 100699848
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369988
(3R)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369987
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 90497330
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 111115296
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide (CID 56764107) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide is O=C(CN1C(=O)CCC1=O)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The InChIKey is CXKCMBOTHCOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-15(14-7-3-5-12-4-1-2-6-13(12)14)10-19-16(22)11-20-17(23)8-9-18(20)24/h1-7,15,21H,8-11H2,(H,19,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 56764107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).