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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 42696198
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
3-(2-chloro-6-methylphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3545236
3-(5-chloro-2-methoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 23097864
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065621
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]hex-5-en-2-ol
CID 93160809
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)-5-nitroimidazol-4-amine
CID 5131607
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065944

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).