(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide

C20H22N2O6 — CID 95783075

IUPAC(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccco1
InChIInChI=1S/C20H22N2O6/c1-20(25,17-3-2-6-28-17)12-21-19(24)13-9-18(23)22(11-13)14-4-5-15-16(10-14)27-8-7-26-15/h2-6,10,13,25H,7-9,11-12H2,1H3,(H,21,24)/t13-,20-/m1/s1
InChIKeyMNSMOSUTPXPSKJ-ZUOKHONESA-N
MW386.40 g/mol
LogP1.43
Rot. Bonds5

About (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95783075) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95783075
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccco1
InChIInChI=1S/C20H22N2O6/c1-20(25,17-3-2-6-28-17)12-21-19(24)13-9-18(23)22(11-13)14-4-5-15-16(10-14)27-8-7-26-15/h2-6,10,13,25H,7-9,11-12H2,1H3,(H,21,24)/t13-,20-/m1/s1
InChIKeyMNSMOSUTPXPSKJ-ZUOKHONESA-N
XLogP1.43
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 95783076
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 95783078
N-(2-amino-2-ethylbutyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119640860
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 60600086
N-(2-aminoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383010
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16583548
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 27742702
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 2552039
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42958647
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 7962751
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 111482781
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2640232

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide (CID 95783075) is (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide is C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccco1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNSMOSUTPXPSKJ-ZUOKHONESA-N. The full InChI is InChI=1S/C20H22N2O6/c1-20(25,17-3-2-6-28-17)12-21-19(24)13-9-18(23)22(11-13)14-4-5-15-16(10-14)27-8-7-26-15/h2-6,10,13,25H,7-9,11-12H2,1H3,(H,21,24)/t13-,20-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95783075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).