2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide

C28H26N2O4 — CID 68889574

IUPAC2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C28H26N2O4/c29-27(33)28(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-15-30(26(23)32)18-24(31)19-11-12-25-20(17-19)14-16-34-25/h1-12,17,23H,13-16,18H2,(H2,29,33)/t23-/m1/s1
InChIKeyJEOSBWCHKRSOJG-HSZRJFAPSA-N
MW454.53 g/mol
LogP3.12
Rot. Bonds7

About 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 68889574) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID68889574
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C28H26N2O4/c29-27(33)28(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-15-30(26(23)32)18-24(31)19-11-12-25-20(17-19)14-16-34-25/h1-12,17,23H,13-16,18H2,(H2,29,33)/t23-/m1/s1
InChIKeyJEOSBWCHKRSOJG-HSZRJFAPSA-N
XLogP3.12
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide (CID 68889574) is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1=O.
What is the InChIKey of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is JEOSBWCHKRSOJG-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26N2O4/c29-27(33)28(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-15-30(26(23)32)18-24(31)19-11-12-25-20(17-19)14-16-34-25/h1-12,17,23H,13-16,18H2,(H2,29,33)/t23-/m1/s1.
What are the key properties of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 454.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 68889574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).