1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

C30H38N2O2 — CID 110572710

IUPAC1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(C3CCCCCCCCCCC3)C2=O)cc1
InChIInChI=1S/C30H38N2O2/c1-23-19-21-24(22-20-23)27-28(31(2)25-15-13-10-14-16-25)30(34)32(29(27)33)26-17-11-8-6-4-3-5-7-9-12-18-26/h10,13-16,19-22,26H,3-9,11-12,17-18H2,1-2H3
InChIKeyVDFGJGRCOFCOJC-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.88
Rot. Bonds4

About 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110572710) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110572710
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(C3CCCCCCCCCCC3)C2=O)cc1
InChIInChI=1S/C30H38N2O2/c1-23-19-21-24(22-20-23)27-28(31(2)25-15-13-10-14-16-25)30(34)32(29(27)33)26-17-11-8-6-4-3-5-7-9-12-18-26/h10,13-16,19-22,26H,3-9,11-12,17-18H2,1-2H3
InChIKeyVDFGJGRCOFCOJC-UHFFFAOYSA-N
XLogP6.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)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

1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110543947
N-[4-[1-cycloheptyl-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562833
1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110559613
1-cyclooctyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110559688
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(4-chlorophenyl)-1-cyclooctyl-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110569859
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
ethyl 4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-1-carboxylate
CID 110543056
3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
3-[benzyl(methyl)amino]-1-cyclooctyl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541553

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110572710) is 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(C3CCCCCCCCCCC3)C2=O)cc1.
What is the InChIKey of 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is VDFGJGRCOFCOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-23-19-21-24(22-20-23)27-28(31(2)25-15-13-10-14-16-25)30(34)32(29(27)33)26-17-11-8-6-4-3-5-7-9-12-18-26/h10,13-16,19-22,26H,3-9,11-12,17-18H2,1-2H3.
What are the key properties of 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 458.65 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).