2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide

C15H18N2O4 — CID 90534330

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O4/c18-12(8-11-4-2-1-3-5-11)9-16-13(19)10-17-14(20)6-7-15(17)21/h1-5,12,18H,6-10H2,(H,16,19)
InChIKeyYBYKHGAJCYDLSI-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.14
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide (PubChem CID 90534330) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
PubChem CID90534330
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O4/c18-12(8-11-4-2-1-3-5-11)9-16-13(19)10-17-14(20)6-7-15(17)21/h1-5,12,18H,6-10H2,(H,16,19)
InChIKeyYBYKHGAJCYDLSI-UHFFFAOYSA-N
XLogP-0.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.14
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-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 56764107
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 100724436
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 111115296
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 95379088
4-[3-[(2-hydroxy-3-phenylpropyl)amino]-3-oxopropyl]benzoic acid
CID 119184094

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide (CID 90534330) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide is O=C(CN1C(=O)CCC1=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is YBYKHGAJCYDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12(8-11-4-2-1-3-5-11)9-16-13(19)10-17-14(20)6-7-15(17)21/h1-5,12,18H,6-10H2,(H,16,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 290.32 g/mol, XLogP of -0.14, 6 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-3-phenylpropyl)acetamide is sourced from PubChem (CID 90534330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).