3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione

C18H24N2O4 — CID 110546593

IUPAC3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)CCO)C1=O
InChIInChI=1S/C18H24N2O4/c1-4-10-20-17(22)15(16(18(20)23)19(3)11-12-21)13-6-8-14(9-7-13)24-5-2/h6-9,21H,4-5,10-12H2,1-3H3
InChIKeyTUZKFCZCLSEZRW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.50
Rot. Bonds8

About 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione (PubChem CID 110546593) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
PubChem CID110546593
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)CCO)C1=O
InChIInChI=1S/C18H24N2O4/c1-4-10-20-17(22)15(16(18(20)23)19(3)11-12-21)13-6-8-14(9-7-13)24-5-2/h6-9,21H,4-5,10-12H2,1-3H3
InChIKeyTUZKFCZCLSEZRW-UHFFFAOYSA-N
XLogP1.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
CID 110543733
1-butyl-3-[2-hydroxyethyl(methyl)amino]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551186
3-[2-hydroxyethyl(methyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-pentylpyrrole-2,5-dione
CID 110551156
3-[2-hydroxyethyl(methyl)amino]-1-[2-(4-methoxyphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110559500
3-[2-hydroxyethyl(methyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110551351
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110548140
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110547775
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547738
1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547467
3-(4-chlorophenyl)-1-ethyl-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110569652
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110546523

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione (CID 110546593) is 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(OCC)cc2)=C(N(C)CCO)C1=O.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione?
The InChIKey is TUZKFCZCLSEZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-10-20-17(22)15(16(18(20)23)19(3)11-12-21)13-6-8-14(9-7-13)24-5-2/h6-9,21H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110546593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).