1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one

C20H30N2O2 — CID 20574341

IUPAC1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1CC(c2ccccc2)=C(OCCN(CC)CC)C1=O
InChIInChI=1S/C20H30N2O2/c1-4-7-13-22-16-18(17-11-9-8-10-12-17)19(20(22)23)24-15-14-21(5-2)6-3/h8-12H,4-7,13-16H2,1-3H3
InChIKeyRAECXPLJFOTHEW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.40
Rot. Bonds10

About 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one

1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one (PubChem CID 20574341) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one
PubChem CID20574341
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1CC(c2ccccc2)=C(OCCN(CC)CC)C1=O
InChIInChI=1S/C20H30N2O2/c1-4-7-13-22-16-18(17-11-9-8-10-12-17)19(20(22)23)24-15-14-21(5-2)6-3/h8-12H,4-7,13-16H2,1-3H3
InChIKeyRAECXPLJFOTHEW-UHFFFAOYSA-N
XLogP3.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one (CID 20574341) is 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one is CCCCN1CC(c2ccccc2)=C(OCCN(CC)CC)C1=O.
What is the InChIKey of 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is RAECXPLJFOTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-7-13-22-16-18(17-11-9-8-10-12-17)19(20(22)23)24-15-14-21(5-2)6-3/h8-12H,4-7,13-16H2,1-3H3.
What are the key properties of 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one?
1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 330.47 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(diethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).