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

C29H30N2O3 — CID 123377040

IUPAC2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCC1Cc2cc(C(=O)CN3CCC(C(C(N)=O)(c4ccccc4)c4ccccc4)C3)ccc2O1
InChIInChI=1S/C29H30N2O3/c1-20-16-22-17-21(12-13-27(22)34-20)26(32)19-31-15-14-25(18-31)29(28(30)33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,17,20,25H,14-16,18-19H2,1H3,(H2,30,33)
InChIKeyGCEYGJIHLWVKJR-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.99
Rot. Bonds7

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

2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 123377040) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
PubChem CID123377040
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
SMILESCC1Cc2cc(C(=O)CN3CCC(C(C(N)=O)(c4ccccc4)c4ccccc4)C3)ccc2O1
InChIInChI=1S/C29H30N2O3/c1-20-16-22-17-21(12-13-27(22)34-20)26(32)19-31-15-14-25(18-31)29(28(30)33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,17,20,25H,14-16,18-19H2,1H3,(H2,30,33)
InChIKeyGCEYGJIHLWVKJR-UHFFFAOYSA-N
XLogP3.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide with MolForge

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Related Compounds

Darifenacin
CID 444031
Darifenacin Hydrobromide
CID 444030
2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide
CID 16076226
(+-)-Darifenacin
CID 72054
1-Benzyl-4-[3-(2,3-dihydro-benzofuran-5-yl)-3-oxo-propyl]-1-methyl-piperidinium
CID 44320583
cis-(1S,2R)-2-(aminomethyl)-1-(1-benzofuran-5-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44449369
1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-2-(cyclopropylmethyl-methyl-amino)-ethanone
CID 10616370
3-Hydroxy Darifenacin
CID 54085540
5-Dbfpv
CID 129844558
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 22842821
2-[1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide
CID 11858258
3-[4-[3-[(3R)-3-phenylmethoxypyrrolidin-1-yl]propoxy]phenyl]benzamide
CID 70687229

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 123377040) is 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is CC1Cc2cc(C(=O)CN3CCC(C(C(N)=O)(c4ccccc4)c4ccccc4)C3)ccc2O1.
What is the InChIKey of 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is GCEYGJIHLWVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-20-16-22-17-21(12-13-27(22)34-20)26(32)19-31-15-14-25(18-31)29(28(30)33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,17,20,25H,14-16,18-19H2,1H3,(H2,30,33).
What are the key properties of 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?
2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 454.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 123377040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).