N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide

C24H28N2O4 — CID 23743830

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
SMILESCCCC(=O)N(C1CC(=O)N(c2ccc(OCC)cc2)C1=O)C(C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-4-9-22(27)25(17(3)18-10-7-6-8-11-18)21-16-23(28)26(24(21)29)19-12-14-20(15-13-19)30-5-2/h6-8,10-15,17,21H,4-5,9,16H2,1-3H3
InChIKeyPMDQRHYQDSAYSQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.11
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide (PubChem CID 23743830) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
PubChem CID23743830
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
SMILESCCCC(=O)N(C1CC(=O)N(c2ccc(OCC)cc2)C1=O)C(C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-4-9-22(27)25(17(3)18-10-7-6-8-11-18)21-16-23(28)26(24(21)29)19-12-14-20(15-13-19)30-5-2/h6-8,10-15,17,21H,4-5,9,16H2,1-3H3
InChIKeyPMDQRHYQDSAYSQ-UHFFFAOYSA-N
XLogP4.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[butanoyl(1-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23773008
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
CID 23743789
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 23998895
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 23971036
ethyl 4-[2,5-dioxo-3-[1-phenylethyl(thiophene-2-carbonyl)amino]pyrrolidin-1-yl]benzoate
CID 23971125

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide (CID 23743830) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide is CCCC(=O)N(C1CC(=O)N(c2ccc(OCC)cc2)C1=O)C(C)c1ccccc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide?
The InChIKey is PMDQRHYQDSAYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-9-22(27)25(17(3)18-10-7-6-8-11-18)21-16-23(28)26(24(21)29)19-12-14-20(15-13-19)30-5-2/h6-8,10-15,17,21H,4-5,9,16H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide has a molecular weight of 408.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 23743830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).