N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide

C28H28N2O4 — CID 2851404

IUPACN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide
SMILESCCCOc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-2-19-34-24-15-13-23(14-16-24)30-26(31)20-25(28(30)33)29(18-17-21-9-5-3-6-10-21)27(32)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3
InChIKeyQFYNHSIJRAZEIP-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.49
Rot. Bonds9

About N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide

N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide (PubChem CID 2851404) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide
PubChem CID2851404
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC NameN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide
SMILESCCCOc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C28H28N2O4/c1-2-19-34-24-15-13-23(14-16-24)30-26(31)20-25(28(30)33)29(18-17-21-9-5-3-6-10-21)27(32)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3
InChIKeyQFYNHSIJRAZEIP-UHFFFAOYSA-N
XLogP4.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide (CID 2851404) is N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide is CCCOc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is QFYNHSIJRAZEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-2-19-34-24-15-13-23(14-16-24)30-26(31)20-25(28(30)33)29(18-17-21-9-5-3-6-10-21)27(32)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3.
What are the key properties of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide?
N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2851404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).