N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C15H20N2O5 — CID 97042863

IUPACN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCc1cc([C@H](O)CCNC(=O)CN2C(=O)CCC2=O)c(C)o1
InChIInChI=1S/C15H20N2O5/c1-9-7-11(10(2)22-9)12(18)5-6-16-13(19)8-17-14(20)3-4-15(17)21/h7,12,18H,3-6,8H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyICCIIDUZLBHYFJ-GFCCVEGCSA-N
MW308.33 g/mol
LogP0.59
Rot. Bonds6

About N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 97042863) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID97042863
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCc1cc([C@H](O)CCNC(=O)CN2C(=O)CCC2=O)c(C)o1
InChIInChI=1S/C15H20N2O5/c1-9-7-11(10(2)22-9)12(18)5-6-16-13(19)8-17-14(20)3-4-15(17)21/h7,12,18H,3-6,8H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyICCIIDUZLBHYFJ-GFCCVEGCSA-N
XLogP0.59
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 97042863) is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is Cc1cc([C@H](O)CCNC(=O)CN2C(=O)CCC2=O)c(C)o1.
What is the InChIKey of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is ICCIIDUZLBHYFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9-7-11(10(2)22-9)12(18)5-6-16-13(19)8-17-14(20)3-4-15(17)21/h7,12,18H,3-6,8H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 308.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 97042863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).