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

C28H28N2O3 — CID 22842829

IUPAC2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C28H28N2O3/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26/h1-12,17,24H,13-16,18-19H2,(H2,29,32)/t24-/m1/s1
InChIKeyCDSQQCASGRQGNT-XMMPIXPASA-N
MW440.54 g/mol
LogP3.60
Rot. Bonds7

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

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 22842829) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID22842829
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C28H28N2O3/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26/h1-12,17,24H,13-16,18-19H2,(H2,29,32)/t24-/m1/s1
InChIKeyCDSQQCASGRQGNT-XMMPIXPASA-N
XLogP3.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.60
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]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 22842829) is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CC(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is CDSQQCASGRQGNT-XMMPIXPASA-N. The full InChI is InChI=1S/C28H28N2O3/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26/h1-12,17,24H,13-16,18-19H2,(H2,29,32)/t24-/m1/s1.
What are the key properties of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 440.54 g/mol, XLogP of 3.60, 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]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 22842829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).