(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

C23H30N2O4 — CID 71602428

IUPAC(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)CCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-4-24(5-2)15-18(26)16-25-14-12-19-20(21(25)27)22(28)29-23(19,3)13-11-17-9-7-6-8-10-17/h6-10,12,14,18,26H,4-5,11,13,15-16H2,1-3H3/t18-,23+/m1/s1
InChIKeyCCYYRIRDVPAGJO-JPYJTQIMSA-N
MW398.50 g/mol
LogP2.57
Rot. Bonds9

About (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 71602428) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID71602428
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)CCc1ccccc1
InChIInChI=1S/C23H30N2O4/c1-4-24(5-2)15-18(26)16-25-14-12-19-20(21(25)27)22(28)29-23(19,3)13-11-17-9-7-6-8-10-17/h6-10,12,14,18,26H,4-5,11,13,15-16H2,1-3H3/t18-,23+/m1/s1
InChIKeyCCYYRIRDVPAGJO-JPYJTQIMSA-N
XLogP2.57
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione 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 (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (CID 71602428) is (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)CCc1ccccc1.
What is the InChIKey of (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is CCYYRIRDVPAGJO-JPYJTQIMSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-24(5-2)15-18(26)16-25-14-12-19-20(21(25)27)22(28)29-23(19,3)13-11-17-9-7-6-8-10-17/h6-10,12,14,18,26H,4-5,11,13,15-16H2,1-3H3/t18-,23+/m1/s1.
What are the key properties of (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 398.50 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 71602428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).