3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

C15H18N2O5 — CID 16647932

IUPAC3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C15H18N2O5/c1-20-7-6-17-14(18)9-12(15(17)19)16-11-8-10(21-2)4-5-13(11)22-3/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyVBGFQRSOFSHUFP-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.01
Rot. Bonds7

About 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 16647932) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID16647932
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C15H18N2O5/c1-20-7-6-17-14(18)9-12(15(17)19)16-11-8-10(21-2)4-5-13(11)22-3/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyVBGFQRSOFSHUFP-UHFFFAOYSA-N
XLogP1.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647944
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590913
3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559093
3-(5-ethylsulfonyl-2-methoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559938
3-(3-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647947
3-[5-fluoro-2-(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559194
3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557664
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
1-(2-methoxyethyl)-3-(4-nitroanilino)pyrrole-2,5-dione
CID 16647996
1-(2-hydroxyethyl)-3-[2-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168556830
1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168558910
3-(2,5-dimethoxyanilino)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110596942

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (CID 16647932) is 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C=C(Nc2cc(OC)ccc2OC)C1=O.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is VBGFQRSOFSHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-20-7-6-17-14(18)9-12(15(17)19)16-11-8-10(21-2)4-5-13(11)22-3/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 306.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 16647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).