N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide

C28H30N4O5 — CID 45141869

IUPACN,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
SMILESCCC(CC)C1C(C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C28H30N4O5/c1-6-17(7-2)23-22(24(33)18-8-10-20(11-9-18)27(35)31(4)5)25(34)28(36)32(23)21-14-12-19(13-15-21)26-29-16(3)37-30-26/h8-15,17,22-23H,6-7H2,1-5H3
InChIKeyNFBAEMGMHRZVNJ-UHFFFAOYSA-N
MW502.57 g/mol
LogP3.97
Rot. Bonds8

About N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide

N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide (PubChem CID 45141869) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
PubChem CID45141869
Molecular FormulaC28H30N4O5
Molecular Weight502.57 g/mol
Exact Mass502.22
IUPAC NameN,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide
SMILESCCC(CC)C1C(C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C28H30N4O5/c1-6-17(7-2)23-22(24(33)18-8-10-20(11-9-18)27(35)31(4)5)25(34)28(36)32(23)21-14-12-19(13-15-21)26-29-16(3)37-30-26/h8-15,17,22-23H,6-7H2,1-5H3
InChIKeyNFBAEMGMHRZVNJ-UHFFFAOYSA-N
XLogP3.97
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide (CID 45141869) is N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide is CCC(CC)C1C(C(=O)c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
The InChIKey is NFBAEMGMHRZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-6-17(7-2)23-22(24(33)18-8-10-20(11-9-18)27(35)31(4)5)25(34)28(36)32(23)21-14-12-19(13-15-21)26-29-16(3)37-30-26/h8-15,17,22-23H,6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide?
N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide has a molecular weight of 502.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dioxo-2-pentan-3-ylpyrrolidine-3-carbonyl]benzamide is sourced from PubChem (CID 45141869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).