N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide

C20H22N2O5 — CID 97257609

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C20H22N2O5/c23-16(18-4-2-9-26-18)12-15-3-1-8-22(15)20(25)19(24)21-14-5-6-17-13(11-14)7-10-27-17/h2,4-6,9,11,15-16,23H,1,3,7-8,10,12H2,(H,21,24)/t15-,16-/m0/s1
InChIKeyDGRAJKFNKVUMHZ-HOTGVXAUSA-N
MW370.41 g/mol
LogP2.27
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 97257609) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID97257609
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C20H22N2O5/c23-16(18-4-2-9-26-18)12-15-3-1-8-22(15)20(25)19(24)21-14-5-6-17-13(11-14)7-10-27-17/h2,4-6,9,11,15-16,23H,1,3,7-8,10,12H2,(H,21,24)/t15-,16-/m0/s1
InChIKeyDGRAJKFNKVUMHZ-HOTGVXAUSA-N
XLogP2.27
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide (CID 97257609) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is DGRAJKFNKVUMHZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-16(18-4-2-9-26-18)12-15-3-1-8-22(15)20(25)19(24)21-14-5-6-17-13(11-14)7-10-27-17/h2,4-6,9,11,15-16,23H,1,3,7-8,10,12H2,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 370.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 97257609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).