1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione

C24H20N2O3 — CID 5288679

IUPAC1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
InChIKeyHLZMYWLMBBLASX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.09
Rot. Bonds6

About 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione

1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 5288679) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
PubChem CID5288679
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
InChIKeyHLZMYWLMBBLASX-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Meppep
CID 25107855
3-[(4-Methoxyphenyl)amino]-2-piperidylnaphthalene-1,4-dione
CID 1389332
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-4-(phenylamino)-
CID 6539456
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-3-(4-methylphenyl)-2-[(3-methylphenyl)formamido]propanamide
CID 23648320
Arylaminoethyl amide, 5k
CID 23648321
(2S)-3-(4-methoxyphenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648322

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione (CID 5288679) is 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione is COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is HLZMYWLMBBLASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione?
1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 384.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 5288679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).