2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

C17H20N2O4 — CID 91631277

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O4/c1-23-17(8-12-4-2-3-5-13(12)9-17)11-18-14(20)10-19-15(21)6-7-16(19)22/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyZVXRNCWICUKMAB-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.44
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (PubChem CID 91631277) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
PubChem CID91631277
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O4/c1-23-17(8-12-4-2-3-5-13(12)9-17)11-18-14(20)10-19-15(21)6-7-16(19)22/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyZVXRNCWICUKMAB-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
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-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782135
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxy-2-(o-tolyl)ethyl)acetamide
CID 71810472
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
Fmoc-Pro-Ala-OtBu
CID 146167339
4,4,4-trifluoro-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125788
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 92125984
Fmoc-D-Pro-Val-OtBu
CID 140893868
Fmoc-Pro-Val-OtBu
CID 140893871
9H-fluoren-9-ylmethyl (2S,4R)-4-methyl-2-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 161662466

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (CID 91631277) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is COC1(CNC(=O)CN2C(=O)CCC2=O)Cc2ccccc2C1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The InChIKey is ZVXRNCWICUKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-17(8-12-4-2-3-5-13(12)9-17)11-18-14(20)10-19-15(21)6-7-16(19)22/h2-5H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 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-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is sourced from PubChem (CID 91631277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).