4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one

C19H26N2O4 — CID 6457883

IUPAC4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CC(C)OC(C)C3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-24-17-7-5-16(6-8-17)21-12-15(9-18(21)22)19(23)20-10-13(2)25-14(3)11-20/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyZZKCKXLXNOWHFZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.07
Rot. Bonds4

About 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one

4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 6457883) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
PubChem CID6457883
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CC(C)OC(C)C3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-24-17-7-5-16(6-8-17)21-12-15(9-18(21)22)19(23)20-10-13(2)25-14(3)11-20/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyZZKCKXLXNOWHFZ-UHFFFAOYSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (CID 6457883) is 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is CCOc1ccc(N2CC(C(=O)N3CC(C)OC(C)C3)CC2=O)cc1.
What is the InChIKey of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is ZZKCKXLXNOWHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-24-17-7-5-16(6-8-17)21-12-15(9-18(21)22)19(23)20-10-13(2)25-14(3)11-20/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 6457883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).