3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C16H20N2O6 — CID 168557664

IUPAC3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=CC(=O)N(CCO)C2=O)c(C(OC)OC)c1
InChIInChI=1S/C16H20N2O6/c1-22-10-4-5-12(11(8-10)16(23-2)24-3)17-13-9-14(20)18(6-7-19)15(13)21/h4-5,8-9,16-17,19H,6-7H2,1-3H3
InChIKeyDCBYAZFEGBWUDT-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.64
Rot. Bonds8

About 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168557664) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168557664
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=CC(=O)N(CCO)C2=O)c(C(OC)OC)c1
InChIInChI=1S/C16H20N2O6/c1-22-10-4-5-12(11(8-10)16(23-2)24-3)17-13-9-14(20)18(6-7-19)15(13)21/h4-5,8-9,16-17,19H,6-7H2,1-3H3
InChIKeyDCBYAZFEGBWUDT-UHFFFAOYSA-N
XLogP0.64
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
1-(2-hydroxyethyl)-3-[2-[(4-methoxyphenyl)methylamino]anilino]pyrrole-2,5-dione
CID 168556433
3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559093
1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168558910
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647932
3-[3-(dimethoxymethyl)-4-[3-(trifluoromethyl)phenoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556886
2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-4,5-dimethoxybenzamide
CID 168558384
[4-fluoro-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl] acetate
CID 168557775
3-(5-ethylsulfonyl-2-methoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559938
3-(2-fluoro-4-hydroxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168557664) is 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is COc1ccc(NC2=CC(=O)N(CCO)C2=O)c(C(OC)OC)c1.
What is the InChIKey of 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is DCBYAZFEGBWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-22-10-4-5-12(11(8-10)16(23-2)24-3)17-13-9-14(20)18(6-7-19)15(13)21/h4-5,8-9,16-17,19H,6-7H2,1-3H3.
What are the key properties of 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 336.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168557664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).