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

C20H23NO4 — CID 98233998

IUPAC(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H23NO4/c1-20(2)18-17(19(23)25-20)15(11-16(22)21-18)12-6-5-9-14(10-12)24-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyIYKUZVPPZBMVTL-HNNXBMFYSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds3

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

(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 98233998) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID98233998
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H23NO4/c1-20(2)18-17(19(23)25-20)15(11-16(22)21-18)12-6-5-9-14(10-12)24-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyIYKUZVPPZBMVTL-HNNXBMFYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 53368870
(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590902
(4R)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233766
(4S)-7,7-dimethyl-4-[4-(2-phenylethoxy)phenyl]-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98233765
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
(4R)-4-[5-(2,5-dichlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234742
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
4-[5-(2-chlorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56763327
(4S)-4-(3-cyclopentyloxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758669
4-(3-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997436
cyclohexyloxybenzene;methanol;piperidine-2,6-dione
CID 172630786
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 98233998) is (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc(OC2CCCC2)c1.
What is the InChIKey of (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is IYKUZVPPZBMVTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2)18-17(19(23)25-20)15(11-16(22)21-18)12-6-5-9-14(10-12)24-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
(4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 341.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-cyclopentyloxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 98233998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).