N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide

C23H26N2O3 — CID 23915042

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H26N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h4-12,16,21H,13-15H2,1-3H3
InChIKeyVLHIBBSZYGHEHK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.53
Rot. Bonds6

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 23915042) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID23915042
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H26N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h4-12,16,21H,13-15H2,1-3H3
InChIKeyVLHIBBSZYGHEHK-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide (CID 23915042) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VLHIBBSZYGHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h4-12,16,21H,13-15H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 23915042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).