3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C14H17N3O3 — CID 168556942

IUPAC3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCN(C)c1cccc(NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C14H17N3O3/c1-16(2)11-5-3-4-10(8-11)15-12-9-13(19)17(6-7-18)14(12)20/h3-5,8-9,15,18H,6-7H2,1-2H3
InChIKeyMXJXKRDBNYNSFR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.41
Rot. Bonds5

About 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168556942) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168556942
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCN(C)c1cccc(NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C14H17N3O3/c1-16(2)11-5-3-4-10(8-11)15-12-9-13(19)17(6-7-18)14(12)20/h3-5,8-9,15,18H,6-7H2,1-2H3
InChIKeyMXJXKRDBNYNSFR-UHFFFAOYSA-N
XLogP0.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 168557490
3-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]prop-2-enoic acid
CID 168559932
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-2-methylbenzamide
CID 168558655
1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
CID 168556834
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
1-(2-hydroxyethyl)-3-(4-sulfanylanilino)pyrrole-2,5-dione
CID 168556665
N-[2-hydroxy-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetamide
CID 168558004
2-[(dimethylamino)methyl]-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168558209
3-[2,6-di(propan-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557058
3-(3-bromo-4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556535

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168556942) is 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is CN(C)c1cccc(NC2=CC(=O)N(CCO)C2=O)c1.
What is the InChIKey of 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is MXJXKRDBNYNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(2)11-5-3-4-10(8-11)15-12-9-13(19)17(6-7-18)14(12)20/h3-5,8-9,15,18H,6-7H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168556942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).