(2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C27H35ClN2O4 — CID 27305566

About (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

(2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 27305566) has the molecular formula C27H35ClN2O4 and a molecular weight of 487.04 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 27305566
• Molecular Formula: C27H35ClN2O4
• Molecular Weight: 487.04 g/mol
• Exact Mass: 486.23
• IUPAC Name: (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
• SMILES: CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(Cl)c1
• InChI: InChI=1S/C27H35ClN2O4/c1-4-6-14-29(15-7-5-2)16-9-17-30-24(20-10-8-11-21(28)18-20)23(26(32)27(30)33)25(31)22-13-12-19(3)34-22/h8,10-13,18,24,32H,4-7,9,14-17H2,1-3H3/t24-/m1/s1
• InChIKey: WWQGDXUNAPHDKO-XMMPIXPASA-N
• XLogP: 6.11
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.04
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 27305566) is (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(Cl)c1.

What is the InChIKey of (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is WWQGDXUNAPHDKO-XMMPIXPASA-N. The full InChI is InChI=1S/C27H35ClN2O4/c1-4-6-14-29(15-7-5-2)16-9-17-30-24(20-10-8-11-21(28)18-20)23(26(32)27(30)33)25(31)22-13-12-19(3)34-22/h8,10-13,18,24,32H,4-7,9,14-17H2,1-3H3/t24-/m1/s1.

What are the key properties of (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?

(2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 487.04 g/mol, XLogP of 6.11, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 27305566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).