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

C23H30N2O4 — CID 71744954

IUPAC5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(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
InChIKeyCCYYRIRDVPAGJO-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.57
Rot. Bonds9

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

5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 71744954) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID71744954
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(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
InChIKeyCCYYRIRDVPAGJO-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (CID 71744954) is 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is CCN(CC)CC(O)Cn1ccc2c(c1=O)C(=O)OC2(C)CCc1ccccc1.
What is the InChIKey of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is CCYYRIRDVPAGJO-UHFFFAOYSA-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.
What are the key properties of 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
5-[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 5-[3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 71744954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).