(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

C25H24N4O3 — CID 98130910

IUPAC(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C25H24N4O3/c1-32-22-9-5-6-18(16-22)14-15-26-23-17-24(30)29(25(23)31)21-12-10-20(11-13-21)28-27-19-7-3-2-4-8-19/h2-13,16,23,26H,14-15,17H2,1H3/b28-27+/t23-/m0/s1
InChIKeyKMCTWWGKPPMAFH-JPUYLNEOSA-N
MW428.49 g/mol
LogP4.57
Rot. Bonds8

About (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (PubChem CID 98130910) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
PubChem CID98130910
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)c1
InChIInChI=1S/C25H24N4O3/c1-32-22-9-5-6-18(16-22)14-15-26-23-17-24(30)29(25(23)31)21-12-10-20(11-13-21)28-27-19-7-3-2-4-8-19/h2-13,16,23,26H,14-15,17H2,1H3/b28-27+/t23-/m0/s1
InChIKeyKMCTWWGKPPMAFH-JPUYLNEOSA-N
XLogP4.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130898
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[3-[2-(3-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21167497
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 2928646
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2877150
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (CID 98130910) is (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is COc1cccc(CCN[C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)c1.
What is the InChIKey of (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is KMCTWWGKPPMAFH-JPUYLNEOSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-32-22-9-5-6-18(16-22)14-15-26-23-17-24(30)29(25(23)31)21-12-10-20(11-13-21)28-27-19-7-3-2-4-8-19/h2-13,16,23,26H,14-15,17H2,1H3/b28-27+/t23-/m0/s1.
What are the key properties of (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98130910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).