4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one

C19H25ClN2O6 — CID 4298083

IUPAC4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one
SMILESCOc1ccc(CN(CCN2CCOCC2)C2=C(Cl)C(=O)OC2O)cc1OC
InChIInChI=1S/C19H25ClN2O6/c1-25-14-4-3-13(11-15(14)26-2)12-22(6-5-21-7-9-27-10-8-21)17-16(20)18(23)28-19(17)24/h3-4,11,19,24H,5-10,12H2,1-2H3
InChIKeyGUMSZAUTPRUPPU-UHFFFAOYSA-N
MW412.87 g/mol
LogP1.16
Rot. Bonds8

About 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one

4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one (PubChem CID 4298083) has the molecular formula C19H25ClN2O6 and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one
PubChem CID4298083
Molecular FormulaC19H25ClN2O6
Molecular Weight412.87 g/mol
Exact Mass412.14
IUPAC Name4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one
SMILESCOc1ccc(CN(CCN2CCOCC2)C2=C(Cl)C(=O)OC2O)cc1OC
InChIInChI=1S/C19H25ClN2O6/c1-25-14-4-3-13(11-15(14)26-2)12-22(6-5-21-7-9-27-10-8-21)17-16(20)18(23)28-19(17)24/h3-4,11,19,24H,5-10,12H2,1-2H3
InChIKeyGUMSZAUTPRUPPU-UHFFFAOYSA-N
XLogP1.16
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one?
The IUPAC name of 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one (CID 4298083) is 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one is COc1ccc(CN(CCN2CCOCC2)C2=C(Cl)C(=O)OC2O)cc1OC.
What is the InChIKey of 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one?
The InChIKey is GUMSZAUTPRUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O6/c1-25-14-4-3-13(11-15(14)26-2)12-22(6-5-21-7-9-27-10-8-21)17-16(20)18(23)28-19(17)24/h3-4,11,19,24H,5-10,12H2,1-2H3.
What are the key properties of 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one?
4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one has a molecular weight of 412.87 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 4298083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).