4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C20H23N3O5 — CID 91887182

IUPAC4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(CC(=O)N3CCCC3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H23N3O5/c1-2-27-14-7-5-13(6-8-14)18-17-15(12-28-19(17)25)23(20(26)21-18)11-16(24)22-9-3-4-10-22/h5-8,18H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyDLKMWWRDZZRDAN-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.58
Rot. Bonds5

About 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 91887182) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887182
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(CC(=O)N3CCCC3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H23N3O5/c1-2-27-14-7-5-13(6-8-14)18-17-15(12-28-19(17)25)23(20(26)21-18)11-16(24)22-9-3-4-10-22/h5-8,18H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyDLKMWWRDZZRDAN-UHFFFAOYSA-N
XLogP1.58
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 91887182) is 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CCOc1ccc(C2NC(=O)N(CC(=O)N3CCCC3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DLKMWWRDZZRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-27-14-7-5-13(6-8-14)18-17-15(12-28-19(17)25)23(20(26)21-18)11-16(24)22-9-3-4-10-22/h5-8,18H,2-4,9-12H2,1H3,(H,21,26).
What are the key properties of 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 91887182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).