3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione

C23H26N2O3 — CID 110572740

IUPAC3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-24(19-9-6-5-7-10-19)21-20(18-13-11-17(2)12-14-18)22(26)25(23(21)27)15-8-16-28-3/h5-7,9-14H,4,8,15-16H2,1-3H3
InChIKeyPCEHBMXBZIYMEZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.64
Rot. Bonds8

About 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione

3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110572740) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110572740
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(C)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-24(19-9-6-5-7-10-19)21-20(18-13-11-17(2)12-14-18)22(26)25(23(21)27)15-8-16-28-3/h5-7,9-14H,4,8,15-16H2,1-3H3
InChIKeyPCEHBMXBZIYMEZ-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110572740) is 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(C)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is PCEHBMXBZIYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-24(19-9-6-5-7-10-19)21-20(18-13-11-17(2)12-14-18)22(26)25(23(21)27)15-8-16-28-3/h5-7,9-14H,4,8,15-16H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 378.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).