(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C21H19NO4 — CID 93036530

IUPAC(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccccc1[C@@H]1CC(=O)N(c2ccccc2)C2=C1C(=O)OC2
InChIInChI=1S/C21H19NO4/c1-2-25-18-11-7-6-10-15(18)16-12-19(23)22(14-8-4-3-5-9-14)17-13-26-21(24)20(16)17/h3-11,16H,2,12-13H2,1H3/t16-/m0/s1
InChIKeyYMVQMMSCYDHCIX-INIZCTEOSA-N
MW349.39 g/mol
LogP3.42
Rot. Bonds4

About (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 93036530) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID93036530
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccccc1[C@@H]1CC(=O)N(c2ccccc2)C2=C1C(=O)OC2
InChIInChI=1S/C21H19NO4/c1-2-25-18-11-7-6-10-15(18)16-12-19(23)22(14-8-4-3-5-9-14)17-13-26-21(24)20(16)17/h3-11,16H,2,12-13H2,1H3/t16-/m0/s1
InChIKeyYMVQMMSCYDHCIX-INIZCTEOSA-N
XLogP3.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Related Compounds

(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036535
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25043224
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
(4S)-1-(4-bromophenyl)-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7631940
4-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496432
(4S)-1-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426323
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4973830
(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426316
2-chloro-5-[4-(2-ethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23802361

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 93036530) is (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCOc1ccccc1[C@@H]1CC(=O)N(c2ccccc2)C2=C1C(=O)OC2.
What is the InChIKey of (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is YMVQMMSCYDHCIX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-25-18-11-7-6-10-15(18)16-12-19(23)22(14-8-4-3-5-9-14)17-13-26-21(24)20(16)17/h3-11,16H,2,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 349.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 93036530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).