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

C23H23NO4 — CID 98233765

IUPAC(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-23(2)21-20(22(26)28-23)18(14-19(25)24-21)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyHRDDIXTYMWWPKU-SFHVURJKSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds5

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

(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 98233765) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID98233765
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-23(2)21-20(22(26)28-23)18(14-19(25)24-21)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyHRDDIXTYMWWPKU-SFHVURJKSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233766
7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 53368870
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(2-phenylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871178
(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233998
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56763327
(7S)-3-phenyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715903
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
(4S)-4-(4-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248776
(7R)-7-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715902
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575

Frequently Asked Questions

What is the IUPAC name of (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 98233765) is (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is HRDDIXTYMWWPKU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO4/c1-23(2)21-20(22(26)28-23)18(14-19(25)24-21)16-8-10-17(11-9-16)27-13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 377.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 98233765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).