N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide

C21H20N2O4 — CID 2941106

IUPACN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C21H20N2O4/c24-19(11-14-5-2-1-3-6-14)22-15-8-9-17-18(12-15)21(26)23(20(17)25)13-16-7-4-10-27-16/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,22,24)
InChIKeyYCUXWFHVKAUACU-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.64
Rot. Bonds5

About N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide

N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide (PubChem CID 2941106) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide
PubChem CID2941106
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C21H20N2O4/c24-19(11-14-5-2-1-3-6-14)22-15-8-9-17-18(12-15)21(26)23(20(17)25)13-16-7-4-10-27-16/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,22,24)
InChIKeyYCUXWFHVKAUACU-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide (CID 2941106) is N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide?
The InChIKey is YCUXWFHVKAUACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(11-14-5-2-1-3-6-14)22-15-8-9-17-18(12-15)21(26)23(20(17)25)13-16-7-4-10-27-16/h1-3,5-6,8-9,12,16H,4,7,10-11,13H2,(H,22,24).
What are the key properties of N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide?
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide has a molecular weight of 364.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 2941106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).