(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

C20H22N4O2 — CID 7303465

IUPAC(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESCCN(CC)[C@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/b22-21+/t18-/m0/s1
InChIKeyFKOKZSGGFPYTAY-VEGAHXMMSA-N
MW350.42 g/mol
LogP4.08
Rot. Bonds6

About (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (PubChem CID 7303465) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
PubChem CID7303465
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESCCN(CC)[C@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/b22-21+/t18-/m0/s1
InChIKeyFKOKZSGGFPYTAY-VEGAHXMMSA-N
XLogP4.08
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781
(3R)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065779
3-[methyl-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]amino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 53291714
(3R)-3-[bis(prop-2-enyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 894436
4-[[cyclopropyl-[2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]amino]methyl]-3-methyloxadiazol-3-ium-5-olate
CID 53291795
4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827253
3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 19631153
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (CID 7303465) is (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is CCN(CC)[C@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O.
What is the InChIKey of (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is FKOKZSGGFPYTAY-VEGAHXMMSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/b22-21+/t18-/m0/s1.
What are the key properties of (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 350.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7303465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).