3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C29H30N2O3 — CID 110574909

IUPAC3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C29H30N2O3/c1-4-30(24-13-9-6-10-14-24)27-26(23-15-17-25(18-16-23)34-21(2)3)28(32)31(29(27)33)20-19-22-11-7-5-8-12-22/h5-18,21H,4,19-20H2,1-3H3
InChIKeyGFWQKOLLNQOLKI-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.32
Rot. Bonds9

About 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110574909) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110574909
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C29H30N2O3/c1-4-30(24-13-9-6-10-14-24)27-26(23-15-17-25(18-16-23)34-21(2)3)28(32)31(29(27)33)20-19-22-11-7-5-8-12-22/h5-18,21H,4,19-20H2,1-3H3
InChIKeyGFWQKOLLNQOLKI-UHFFFAOYSA-N
XLogP5.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110575592
3-[benzyl(methyl)amino]-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574907
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576102
1-(3-butoxypropyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575615
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569924
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551433
3-(N-methylanilino)-1-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575529
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110574909) is 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is GFWQKOLLNQOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-4-30(24-13-9-6-10-14-24)27-26(23-15-17-25(18-16-23)34-21(2)3)28(32)31(29(27)33)20-19-22-11-7-5-8-12-22/h5-18,21H,4,19-20H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 454.57 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).