3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

C22H24N2O4 — CID 110561457

IUPAC3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccccc1N1C(=O)C(c2ccccc2)=C(N(C)CCO)C1=O
InChIInChI=1S/C22H24N2O4/c1-15(2)28-18-12-8-7-11-17(18)24-21(26)19(16-9-5-4-6-10-16)20(22(24)27)23(3)13-14-25/h4-12,15,25H,13-14H2,1-3H3
InChIKeyHPYGZDDRFFRGHJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.68
Rot. Bonds7

About 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110561457) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110561457
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccccc1N1C(=O)C(c2ccccc2)=C(N(C)CCO)C1=O
InChIInChI=1S/C22H24N2O4/c1-15(2)28-18-12-8-7-11-17(18)24-21(26)19(16-9-5-4-6-10-16)20(22(24)27)23(3)13-14-25/h4-12,15,25H,13-14H2,1-3H3
InChIKeyHPYGZDDRFFRGHJ-UHFFFAOYSA-N
XLogP2.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.68
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-[2-hydroxyethyl(methyl)amino]-1-(2-methylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576211
3-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561417
1-(2,3-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562231
3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
1-(2,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562093
1-(2,5-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576280
1-(2,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576263
1-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562167
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570518
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562060
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110548140

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110561457) is 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccccc1N1C(=O)C(c2ccccc2)=C(N(C)CCO)C1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is HPYGZDDRFFRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)28-18-12-8-7-11-17(18)24-21(26)19(16-9-5-4-6-10-16)20(22(24)27)23(3)13-14-25/h4-12,15,25H,13-14H2,1-3H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 380.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110561457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).