1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione

C23H26N2O5 — CID 110559954

IUPAC1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)N(CC(C)C)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)13-25-22(26)19(15-9-7-6-8-10-15)20(23(25)27)24-16-11-17(28-3)21(30-5)18(12-16)29-4/h6-12,14,24H,13H2,1-5H3
InChIKeyNWMXBKCMAUGNIH-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.56
Rot. Bonds8

About 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione

1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (PubChem CID 110559954) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
PubChem CID110559954
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCOc1cc(NC2=C(c3ccccc3)C(=O)N(CC(C)C)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)13-25-22(26)19(15-9-7-6-8-10-15)20(23(25)27)24-16-11-17(28-3)21(30-5)18(12-16)29-4/h6-12,14,24H,13H2,1-5H3
InChIKeyNWMXBKCMAUGNIH-UHFFFAOYSA-N
XLogP3.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyanilino)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594768
1-(furan-2-ylmethyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559128
3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
3-(4-propan-2-yloxyphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110575183
3-(4-chlorophenyl)-4-(3,5-dimethoxyanilino)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110599479
3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110593067
3-(4-fluorophenyl)-1-(2-propan-2-yloxyethyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110543913
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22432988
3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110587964
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597837
3-(3,4-dimethylphenyl)-1-pentyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110548797

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (CID 110559954) is 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is COc1cc(NC2=C(c3ccccc3)C(=O)N(CC(C)C)C2=O)cc(OC)c1OC.
What is the InChIKey of 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The InChIKey is NWMXBKCMAUGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14(2)13-25-22(26)19(15-9-7-6-8-10-15)20(23(25)27)24-16-11-17(28-3)21(30-5)18(12-16)29-4/h6-12,14,24H,13H2,1-5H3.
What are the key properties of 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110559954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).