(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione

C21H19NO4 — CID 139260110

IUPAC(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(=O)C(C(=O)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H19NO4/c1-14(23)19(20(25)16-10-6-3-7-11-16)17-12-18(24)22(21(17)26)13-15-8-4-2-5-9-15/h2-11,17,19H,12-13H2,1H3/t17-,19?/m1/s1
InChIKeySZRIPRVPLJBBOT-DUSLRRAJSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds6

About (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione

(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 139260110) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
PubChem CID139260110
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(=O)C(C(=O)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H19NO4/c1-14(23)19(20(25)16-10-6-3-7-11-16)17-12-18(24)22(21(17)26)13-15-8-4-2-5-9-15/h2-11,17,19H,12-13H2,1H3/t17-,19?/m1/s1
InChIKeySZRIPRVPLJBBOT-DUSLRRAJSA-N
XLogP2.65
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-acetylphenyl)methyl]-3-(1-iodoethyl)pyrrolidine-2,5-dione
CID 88990290
1-benzyl-3-(5-oxononan-4-yl)pyrrolidine-2,5-dione
CID 139259755
(3S)-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
CID 71614352
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
methyl 3-(4-chlorophenyl)-2-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-3-oxopropanoate
CID 139260088
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
CID 11191037
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
4-[[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]methyl]benzoic acid
CID 59737379
5-benzyl-1,2,3,3a,7,7a-hexahydropyrrolo[3,4-c]pyridine-4,6-dione
CID 19691399

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione (CID 139260110) is (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione is CC(=O)C(C(=O)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is SZRIPRVPLJBBOT-DUSLRRAJSA-N. The full InChI is InChI=1S/C21H19NO4/c1-14(23)19(20(25)16-10-6-3-7-11-16)17-12-18(24)22(21(17)26)13-15-8-4-2-5-9-15/h2-11,17,19H,12-13H2,1H3/t17-,19?/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 349.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139260110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).