(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione

C19H18N2O3 — CID 25349483

IUPAC(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C1CC1
InChIInChI=1S/C19H18N2O3/c22-18-12-17(19(23)21(18)14-8-9-14)20-13-6-10-16(11-7-13)24-15-4-2-1-3-5-15/h1-7,10-11,14,17,20H,8-9,12H2/t17-/m0/s1
InChIKeyJNUVXZQEEOCDIT-KRWDZBQOSA-N
MW322.36 g/mol
LogP3.18
Rot. Bonds5

About (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione

(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione (PubChem CID 25349483) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
PubChem CID25349483
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C1CC1
InChIInChI=1S/C19H18N2O3/c22-18-12-17(19(23)21(18)14-8-9-14)20-13-6-10-16(11-7-13)24-15-4-2-1-3-5-15/h1-7,10-11,14,17,20H,8-9,12H2/t17-/m0/s1
InChIKeyJNUVXZQEEOCDIT-KRWDZBQOSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.18
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

3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51454371
(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 98368892
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
CID 61061098
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
CID 60933132
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione (CID 25349483) is (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C1CC1.
What is the InChIKey of (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JNUVXZQEEOCDIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-12-17(19(23)21(18)14-8-9-14)20-13-6-10-16(11-7-13)24-15-4-2-1-3-5-15/h1-7,10-11,14,17,20H,8-9,12H2/t17-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 25349483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).